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

Systemtic Name: 4-[(2-methylphenyl)methyl]-N-(3-nitrophenyl)piperazin-4-ium-1-carboxamide Openeye Name: N-(3-nitrophenyl)-4-(o-tolylmethyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[(2-methylphenyl)methyl]-N-(3-nitrophenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(2-methylphenyl)methyl]-N-(3-nitrophenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-(2-methylbenzyl)-N-(3-nitrophenyl)piperazin-4-ium-1-carboxamide Formula: C19H23N4O3+ MolecularWeight: 355.41092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O3/c1-15-5-2-3-6-16(15)14-21-9-11-22(12-10-21)19(24)20-17-7-4-8-18(13-17)23(25)26/h2-8,13H,9-12,14H2,1H3,(H,20,24)/p+1