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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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