12-[6-(3,12-diaza-6,9-diazoniadispiro[5.2.5^{9}.2^{6}]hexadecan-12-yl)-2-methyl-5-nitro-pyrimidin-4-yl]-3,12-diaza-6,9-diazoniadispiro[5.2.5^{9}.2^{6}]hexadecane

Systemtic Name: 12-[6-(3,12-diaza-6,9-diazoniadispiro[5.2.5^{9}.2^{6}]hexadecan-12-yl)-2-methyl-5-nitro-pyrimidin-4-yl]-3,12-diaza-6,9-diazoniadispiro[5.2.5^{9}.2^{6}]hexadecane Openeye Name: 12-[6-(3,12-diaza-6,9-diazoniadispiro[5.2.5^{9}.2^{6}]hexadecan-12-yl)-2-methyl-5-nitro-pyrimidin-4-yl]-3,12-diaza-6,9-diazoniadispiro[5.2.5^{9}.2^{6}]hexadecane CAS Name: 12-[6-(3,12-diaza-6,9-diazoniadispiro[5.2.5^{9}.2^{6}]hexadecan-12-yl)-2-methyl-5-nitro-4-pyrimidinyl]-3,12-diaza-6,9-diazoniadispiro[5.2.5^{9}.2^{6}]hexadecane IUPAC Name: 12-[6-(3,12-diaza-6,9-diazoniadispiro[5.2.5^{9}.2^{6}]hexadecan-12-yl)-2-methyl-5-nitropyrimidin-4-yl]-3,12-diaza-6,9-diazoniadispiro[5.2.5^{9}.2^{6}]hexadecane Traditional Name: 12-[6-(3,12-diaza-6,9-diazoniadispiro[5.2.5^{9}.2^{6}]hexadecan-12-yl)-2-methyl-5-nitro-pyrimidin-4-yl]-3,12-diaza-6,9-diazoniadispiro[5.2.5^{9}.2^{6}]hexadecane Formula: C29H53N11O2+4 MolecularWeight: 587.80362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=N1)N2CC[N+]3(CC2)CC[N+]4(CCNCC4)CC3)[N+](=O)[O-])N5CC[N+]6(CC5)CC[N+]7(CCNCC7)CC6

Isomeric SMILES

CC1=NC(=C(C(=N1)N2CC[N+]3(CC2)CC[N+]4(CCNCC4)CC3)[N+](=O)[O-])N5CC[N+]6(CC5)CC[N+]7(CCNCC7)CC6

InChI

InChI=1S/C29H53N11O2/c1-26-32-28(34-6-14-39(15-7-34)22-18-37(19-23-39)10-2-30-3-11-37)27(36(41)42)29(33-26)35-8-16-40(17-9-35)24-20-38(21-25-40)12-4-31-5-13-38/h30-31H,2-25H2,1H3/q+4