(2S)-2-(4-methylpiperazine-1,4-diium-1-yl)-N-(4-nitrophenyl)propanamide

Systemtic Name: (2S)-2-(4-methylpiperazine-1,4-diium-1-yl)-N-(4-nitrophenyl)propanamide Openeye Name: (2S)-2-(4-methylpiperazine-1,4-diium-1-yl)-N-(4-nitrophenyl)propanamide CAS Name: (2S)-2-(4-methyl-1-piperazine-1,4-diiumyl)-N-(4-nitrophenyl)propanamide IUPAC Name: (2S)-2-(4-methylpiperazine-1,4-diium-1-yl)-N-(4-nitrophenyl)propanamide Traditional Name: (2S)-2-(4-methylpiperazine-1,4-diium-1-yl)-N-(4-nitrophenyl)propionamide Formula: C14H22N4O3+2 MolecularWeight: 294.34948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])[NH+]2CC[NH+](CC2)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])[NH+]2CC[NH+](CC2)C

InChI

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