4-(4-methyl-1,4-diazepan-4-ium-1-yl)-N-naphthalen-2-yl-3-nitro-benzamide

Systemtic Name: 4-(4-methyl-1,4-diazepan-4-ium-1-yl)-N-naphthalen-2-yl-3-nitro-benzamide Openeye Name: 4-(4-methyl-1,4-diazepan-4-ium-1-yl)-N-(2-naphthyl)-3-nitro-benzamide CAS Name: 4-(4-methyl-1,4-diazepan-4-ium-1-yl)-N-(2-naphthalenyl)-3-nitrobenzamide IUPAC Name: 4-(4-methyl-1,4-diazepan-4-ium-1-yl)-N-naphthalen-2-yl-3-nitrobenzamide Traditional Name: 4-(4-methyl-1,4-diazepan-4-ium-1-yl)-N-(2-naphthyl)-3-nitro-benzamide Formula: C23H25N4O3+ MolecularWeight: 405.4696

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC4=CC=CC=C4C=C3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC4=CC=CC=C4C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H24N4O3/c1-25-11-4-12-26(14-13-25)21-10-8-19(16-22(21)27(29)30)23(28)24-20-9-7-17-5-2-3-6-18(17)15-20/h2-3,5-10,15-16H,4,11-14H2,1H3,(H,24,28)/p+1