(2R)-N-(2-chloranyl-5-nitro-phenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-(2-chloranyl-5-nitro-phenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-(2-chloro-5-nitro-phenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide CAS Name: (2R)-N-(2-chloro-5-nitrophenyl)-2-(4-phenyl-1-piperazin-1-iumyl)propanamide IUPAC Name: (2R)-N-(2-chloro-5-nitrophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-(2-chloro-5-nitro-phenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propionamide Formula: C19H22ClN4O3+ MolecularWeight: 389.85598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C19H21ClN4O3/c1-14(19(25)21-18-13-16(24(26)27)7-8-17(18)20)22-9-11-23(12-10-22)15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3,(H,21,25)/p+1/t14-/m1/s1