(2S)-N-(2-methyl-4-nitro-phenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(2-methyl-4-nitro-phenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(2-methyl-4-nitro-phenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(2-methyl-4-nitrophenyl)-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(2-methyl-4-nitrophenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(2-methyl-4-nitro-phenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propionamide Formula: C19H25N5O3+2 MolecularWeight: 371.4335

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(C)[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)[C@H](C)[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C19H23N5O3/c1-14-13-16(24(26)27)6-7-17(14)21-19(25)15(2)22-9-11-23(12-10-22)18-5-3-4-8-20-18/h3-8,13,15H,9-12H2,1-2H3,(H,21,25)/p+2/t15-/m0/s1