(2R)-N-(2-methoxy-5-nitro-phenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(2-methoxy-5-nitro-phenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(2-methoxy-5-nitro-phenyl)-2-[4-(o-tolyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(2-methoxy-5-nitrophenyl)-2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(2-methoxy-5-nitrophenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(2-methoxy-5-nitro-phenyl)-2-[4-(o-tolyl)piperazin-1-ium-1-yl]propionamide Formula: C21H27N4O4+ MolecularWeight: 399.46348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O4/c1-15-6-4-5-7-19(15)24-12-10-23(11-13-24)16(2)21(26)22-18-14-17(25(27)28)8-9-20(18)29-3/h4-9,14,16H,10-13H2,1-3H3,(H,22,26)/p+1/t16-/m1/s1