(2S)-N-(4-methyl-3-nitro-phenyl)-2-piperazin-4-ium-1-yl-propanamide

Systemtic Name: (2S)-N-(4-methyl-3-nitro-phenyl)-2-piperazin-4-ium-1-yl-propanamide Openeye Name: (2S)-N-(4-methyl-3-nitro-phenyl)-2-piperazin-4-ium-1-yl-propanamide CAS Name: (2S)-N-(4-methyl-3-nitrophenyl)-2-(1-piperazin-4-iumyl)propanamide IUPAC Name: (2S)-N-(4-methyl-3-nitrophenyl)-2-piperazin-4-ium-1-ylpropanamide Traditional Name: (2S)-N-(4-methyl-3-nitro-phenyl)-2-piperazin-4-ium-1-yl-propionamide Formula: C14H21N4O3+ MolecularWeight: 293.34154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)N2CC[NH2+]CC2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C)N2CC[NH2+]CC2)[N+](=O)[O-]

InChI

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