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

Systemtic Name: 4-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-3-nitro-benzamide Openeye Name: 4-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-3-nitro-benzamide CAS Name: 4-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-3-nitrobenzamide IUPAC Name: 4-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-3-nitrobenzamide Traditional Name: 4-[4-(4-chlorobenzyl)-1,4-diazepan-4-ium-1-yl]-3-nitro-benzamide Formula: C19H22ClN4O3+ MolecularWeight: 389.85598

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1C[NH+](CCN(C1)C2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H21ClN4O3/c20-16-5-2-14(3-6-16)13-22-8-1-9-23(11-10-22)17-7-4-15(19(21)25)12-18(17)24(26)27/h2-7,12H,1,8-11,13H2,(H2,21,25)/p+1