N-(4-methylphenyl)-3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: N-(4-methylphenyl)-3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: 3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-(p-tolyl)propanamide CAS Name: N-(4-methylphenyl)-3-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(4-methylphenyl)-3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: 3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-(p-tolyl)propionamide Formula: C20H25N4O3+ MolecularWeight: 369.4375

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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