2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-6-nitro-quinoline

Systemtic Name: 2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-6-nitro-quinoline Openeye Name: 2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-6-nitro-quinoline CAS Name: 2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-6-nitroquinoline IUPAC Name: 2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-6-nitroquinoline Traditional Name: 6-nitro-2-(4-p-anisyl-1,4-diazepan-4-ium-1-yl)quinoline Formula: C22H25N4O3+ MolecularWeight: 393.4589

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C3=NC4=C(C=C3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C3=NC4=C(C=C3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O3/c1-29-20-7-3-17(4-8-20)16-24-11-2-12-25(14-13-24)22-10-5-18-15-19(26(27)28)6-9-21(18)23-22/h3-10,15H,2,11-14,16H2,1H3/p+1