6-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-2-oxidanylidene-N-[(1R)-1-thiophen-2-ylethyl]-1H-pyridine-3-carboxamide

Systemtic Name: 6-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-2-oxidanylidene-N-[(1R)-1-thiophen-2-ylethyl]-1H-pyridine-3-carboxamide Openeye Name: 6-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-2-oxo-N-[(1R)-1-(2-thienyl)ethyl]-1H-pyridine-3-carboxamide CAS Name: 6-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]-2-oxo-N-[(1R)-1-thiophen-2-ylethyl]-1H-pyridine-3-carboxamide IUPAC Name: 6-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-2-oxo-N-[(1R)-1-thiophen-2-ylethyl]-1H-pyridine-3-carboxamide Traditional Name: 2-keto-6-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]-N-[(1R)-1-(2-thienyl)ethyl]-1H-pyridine-3-carboxamide Formula: C25H31N4O3S+ MolecularWeight: 467.60364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC=C(C(=O)N3)C(=O)NC(C)C4=CC=CS4

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC=C(C(=O)N3)C(=O)N[C@H](C)C4=CC=CS4

InChI

InChI=1S/C25H30N4O3S/c1-3-32-22-8-5-4-7-21(22)29-14-12-28(13-15-29)17-19-10-11-20(25(31)27-19)24(30)26-18(2)23-9-6-16-33-23/h4-11,16,18H,3,12-15,17H2,1-2H3,(H,26,30)(H,27,31)/p+1/t18-/m1/s1