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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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