2-phenethyl-3-[1-(thiophen-3-ylmethyl)piperidin-1-ium-4-yl]imidazo[4,5-b]pyridine

Systemtic Name: 2-phenethyl-3-[1-(thiophen-3-ylmethyl)piperidin-1-ium-4-yl]imidazo[4,5-b]pyridine Openeye Name: 2-phenethyl-3-[1-(3-thienylmethyl)piperidin-1-ium-4-yl]imidazo[4,5-b]pyridine CAS Name: 2-phenethyl-3-[1-(3-thiophenylmethyl)-4-piperidin-1-iumyl]imidazo[4,5-b]pyridine IUPAC Name: 2-phenethyl-3-[1-(thiophen-3-ylmethyl)piperidin-1-ium-4-yl]imidazo[4,5-b]pyridine Traditional Name: 2-phenethyl-3-[1-(3-thenyl)piperidin-1-ium-4-yl]imidazo[4,5-b]pyridine Formula: C24H27N4S+ MolecularWeight: 403.56298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=NC3=C2N=CC=C3)CCC4=CC=CC=C4)CC5=CSC=C5

Isomeric SMILES

C1C[NH+](CCC1N2C(=NC3=C2N=CC=C3)CCC4=CC=CC=C4)CC5=CSC=C5

InChI

InChI=1S/C24H26N4S/c1-2-5-19(6-3-1)8-9-23-26-22-7-4-13-25-24(22)28(23)21-10-14-27(15-11-21)17-20-12-16-29-18-20/h1-7,12-13,16,18,21H,8-11,14-15,17H2/p+1