N-[(R)-(4-chlorophenyl)-phenyl-methyl]-2-ethyl-6-methyl-4-oxidanylidene-1-(2-piperidin-1-ium-1-ylethyl)pyridine-3-carboxamide

Systemtic Name: N-[(R)-(4-chlorophenyl)-phenyl-methyl]-2-ethyl-6-methyl-4-oxidanylidene-1-(2-piperidin-1-ium-1-ylethyl)pyridine-3-carboxamide Openeye Name: N-[(R)-(4-chlorophenyl)-phenyl-methyl]-2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ium-1-ylethyl)pyridine-3-carboxamide CAS Name: N-[(R)-(4-chlorophenyl)-phenylmethyl]-2-ethyl-6-methyl-4-oxo-1-[2-(1-piperidin-1-iumyl)ethyl]-3-pyridinecarboxamide IUPAC Name: N-[(R)-(4-chlorophenyl)-phenylmethyl]-2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ium-1-ylethyl)pyridine-3-carboxamide Traditional Name: N-[(R)-(4-chlorophenyl)-phenyl-methyl]-2-ethyl-4-keto-6-methyl-1-(2-piperidin-1-ium-1-ylethyl)nicotinamide Formula: C29H35ClN3O2+ MolecularWeight: 493.0601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)C=C(N1CC[NH+]2CCCCC2)C)C(=O)NC(C3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCC1=C(C(=O)C=C(N1CC[NH+]2CCCCC2)C)C(=O)N[C@H](C3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C29H34ClN3O2/c1-3-25-27(26(34)20-21(2)33(25)19-18-32-16-8-5-9-17-32)29(35)31-28(22-10-6-4-7-11-22)23-12-14-24(30)15-13-23/h4,6-7,10-15,20,28H,3,5,8-9,16-19H2,1-2H3,(H,31,35)/p+1/t28-/m1/s1