4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-3-nitro-benzamide

Systemtic Name: 4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-3-nitro-benzamide Openeye Name: 4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-3-nitro-benzamide CAS Name: 4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-3-nitrobenzamide IUPAC Name: 4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-3-nitrobenzamide Traditional Name: 3-nitro-4-(4-p-anisyl-1,4-diazepan-4-ium-1-yl)benzamide Formula: C20H25N4O4+ MolecularWeight: 385.4369

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O4/c1-28-17-6-3-15(4-7-17)14-22-9-2-10-23(12-11-22)18-8-5-16(20(21)25)13-19(18)24(26)27/h3-8,13H,2,9-12,14H2,1H3,(H2,21,25)/p+1