6-[4-[(1R)-2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]piperazin-4-ium-1-yl]pyridine-3-carboxamide

Systemtic Name: 6-[4-[(1R)-2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]piperazin-4-ium-1-yl]pyridine-3-carboxamide Openeye Name: 6-[4-[(1R)-2-(3-chloro-4-methyl-anilino)-2-oxo-1-phenyl-ethyl]piperazin-4-ium-1-yl]pyridine-3-carboxamide CAS Name: 6-[4-[(1R)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]-1-piperazin-4-iumyl]-3-pyridinecarboxamide IUPAC Name: 6-[4-[(1R)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]piperazin-4-ium-1-yl]pyridine-3-carboxamide Traditional Name: 6-[4-[(1R)-2-(3-chloro-4-methyl-anilino)-2-keto-1-phenyl-ethyl]piperazin-4-ium-1-yl]nicotinamide Formula: C25H27ClN5O2+ MolecularWeight: 464.96718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)[NH+]3CCN(CC3)C4=NC=C(C=C4)C(=O)N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@@H](C2=CC=CC=C2)[NH+]3CCN(CC3)C4=NC=C(C=C4)C(=O)N)Cl

InChI

InChI=1S/C25H26ClN5O2/c1-17-7-9-20(15-21(17)26)29-25(33)23(18-5-3-2-4-6-18)31-13-11-30(12-14-31)22-10-8-19(16-28-22)24(27)32/h2-10,15-16,23H,11-14H2,1H3,(H2,27,32)(H,29,33)/p+1/t23-/m1/s1