12-[6-(3,12-diaza-6,9-diazoniadispiro[5.2.5^{9}.2^{6}]hexadecan-12-yl)-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)-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)-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)-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)-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)-5-nitro-pyrimidin-4-yl]-3,12-diaza-6,9-diazoniadispiro[5.2.5^{9}.2^{6}]hexadecane Formula: C28H51N11O2+4 MolecularWeight: 573.77704

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCN1)CC[N+]3(CCN(CC3)C4=C(C(=NC=N4)N5CC[N+]6(CC5)CC[N+]7(CCNCC7)CC6)[N+](=O)[O-])CC2

Isomeric SMILES

C1C[N+]2(CCN1)CC[N+]3(CCN(CC3)C4=C(C(=NC=N4)N5CC[N+]6(CC5)CC[N+]7(CCNCC7)CC6)[N+](=O)[O-])CC2

InChI

InChI=1S/C28H51N11O2/c40-35(41)26-27(33-5-13-38(14-6-33)21-17-36(18-22-38)9-1-29-2-10-36)31-25-32-28(26)34-7-15-39(16-8-34)23-19-37(20-24-39)11-3-30-4-12-37/h25,29-30H,1-24H2/q+4