(2R)-N-(2-chloranyl-4-nitro-phenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-(2-chloranyl-4-nitro-phenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-(2-chloro-4-nitro-phenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2R)-N-(2-chloro-4-nitrophenyl)-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(2-chloro-4-nitrophenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-(2-chloro-4-nitro-phenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propionamide Formula: C18H22ClN5O3+2 MolecularWeight: 391.85198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C18H20ClN5O3/c1-13(18(25)21-16-6-5-14(24(26)27)12-15(16)19)22-8-10-23(11-9-22)17-4-2-3-7-20-17/h2-7,12-13H,8-11H2,1H3,(H,21,25)/p+2/t13-/m1/s1