(2R)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(2-nitrophenyl)propanamide

Systemtic Name: (2R)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(2-nitrophenyl)propanamide Openeye Name: (2R)-N-(2-nitrophenyl)-2-[4-(o-tolyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-N-(2-nitrophenyl)propanamide IUPAC Name: (2R)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(2-nitrophenyl)propanamide Traditional Name: (2R)-N-(2-nitrophenyl)-2-[4-(o-tolyl)piperazin-1-ium-1-yl]propionamide Formula: C20H25N4O3+ MolecularWeight: 369.4375

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)C(C)C(=O)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)[C@H](C)C(=O)NC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O3/c1-15-7-3-5-9-18(15)23-13-11-22(12-14-23)16(2)20(25)21-17-8-4-6-10-19(17)24(26)27/h3-10,16H,11-14H2,1-2H3,(H,21,25)/p+1/t16-/m1/s1