[4-(cyclopropylamino)-3-nitro-phenyl]-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: [4-(cyclopropylamino)-3-nitro-phenyl]-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: [4-(cyclopropylamino)-3-nitro-phenyl]-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [4-(cyclopropylamino)-3-nitrophenyl]-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: [4-(cyclopropylamino)-3-nitrophenyl]-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: [4-(cyclopropylamino)-3-nitro-phenyl]-[4-(3-methylbenzyl)piperazin-4-ium-1-yl]methanone Formula: C22H27N4O3+ MolecularWeight: 395.47478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O3/c1-16-3-2-4-17(13-16)15-24-9-11-25(12-10-24)22(27)18-5-8-20(23-19-6-7-19)21(14-18)26(28)29/h2-5,8,13-14,19,23H,6-7,9-12,15H2,1H3/p+1