1-(6,7-dimethoxyquinazolin-4-yl)-1-[(4-methoxyphenyl)methyl]-6-nitro-3-piperidin-4-yl-quinazolin-1-ium-2,4-dione

Systemtic Name: 1-(6,7-dimethoxyquinazolin-4-yl)-1-[(4-methoxyphenyl)methyl]-6-nitro-3-piperidin-4-yl-quinazolin-1-ium-2,4-dione Openeye Name: 1-(6,7-dimethoxyquinazolin-4-yl)-1-[(4-methoxyphenyl)methyl]-6-nitro-3-(4-piperidyl)quinazolin-1-ium-2,4-dione CAS Name: 1-(6,7-dimethoxy-4-quinazolinyl)-1-[(4-methoxyphenyl)methyl]-6-nitro-3-(4-piperidinyl)quinazolin-1-ium-2,4-dione IUPAC Name: 1-(6,7-dimethoxyquinazolin-4-yl)-1-[(4-methoxyphenyl)methyl]-6-nitro-3-piperidin-4-ylquinazolin-1-ium-2,4-dione Traditional Name: 1-(6,7-dimethoxyquinazolin-4-yl)-6-nitro-1-p-anisyl-3-(4-piperidyl)quinazolin-1-ium-2,4-quinone Formula: C31H31N6O7+ MolecularWeight: 599.61384

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[N+]2(C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N(C2=O)C4CCNCC4)C5=NC=NC6=CC(=C(C=C65)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)C[N+]2(C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N(C2=O)C4CCNCC4)C5=NC=NC6=CC(=C(C=C65)OC)OC

InChI

InChI=1S/C31H31N6O7/c1-42-22-7-4-19(5-8-22)17-37(29-23-15-27(43-2)28(44-3)16-25(23)33-18-34-29)26-9-6-21(36(40)41)14-24(26)30(38)35(31(37)39)20-10-12-32-13-11-20/h4-9,14-16,18,20,32H,10-13,17H2,1-3H3/q+1