4-[(2-methylphenyl)methyl]-N-(3-nitrophenyl)-1,4-diazepan-4-ium-1-carboxamide

Systemtic Name: 4-[(2-methylphenyl)methyl]-N-(3-nitrophenyl)-1,4-diazepan-4-ium-1-carboxamide Openeye Name: N-(3-nitrophenyl)-4-(o-tolylmethyl)-1,4-diazepan-4-ium-1-carboxamide CAS Name: 4-[(2-methylphenyl)methyl]-N-(3-nitrophenyl)-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: 4-[(2-methylphenyl)methyl]-N-(3-nitrophenyl)-1,4-diazepan-4-ium-1-carboxamide Traditional Name: 4-(2-methylbenzyl)-N-(3-nitrophenyl)-1,4-diazepan-4-ium-1-carboxamide Formula: C20H25N4O3+ MolecularWeight: 369.4375

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCCN(CC2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCCN(CC2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O3/c1-16-6-2-3-7-17(16)15-22-10-5-11-23(13-12-22)20(25)21-18-8-4-9-19(14-18)24(26)27/h2-4,6-9,14H,5,10-13,15H2,1H3,(H,21,25)/p+1