(2S)-N-(4-methylpiperazin-4-ium-1-yl)-2-(4-nitrophenyl)propanamide

Systemtic Name: (2S)-N-(4-methylpiperazin-4-ium-1-yl)-2-(4-nitrophenyl)propanamide Openeye Name: (2S)-N-(4-methylpiperazin-4-ium-1-yl)-2-(4-nitrophenyl)propanamide CAS Name: (2S)-N-(4-methyl-1-piperazin-4-iumyl)-2-(4-nitrophenyl)propanamide IUPAC Name: (2S)-N-(4-methylpiperazin-4-ium-1-yl)-2-(4-nitrophenyl)propanamide Traditional Name: (2S)-N-(4-methylpiperazin-4-ium-1-yl)-2-(4-nitrophenyl)propionamide Formula: C14H21N4O3+ MolecularWeight: 293.34154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)NN2CC[NH+](CC2)C

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)[N+](=O)[O-])C(=O)NN2CC[NH+](CC2)C

InChI

InChI=1S/C14H20N4O3/c1-11(12-3-5-13(6-4-12)18(20)21)14(19)15-17-9-7-16(2)8-10-17/h3-6,11H,7-10H2,1-2H3,(H,15,19)/p+1/t11-/m0/s1