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

Systemtic Name: 3-[1-[(5-methylthiophen-2-yl)methyl]piperidin-1-ium-4-yl]-2-phenethyl-imidazo[4,5-b]pyridine Openeye Name: 3-[1-[(5-methyl-2-thienyl)methyl]piperidin-1-ium-4-yl]-2-phenethyl-imidazo[4,5-b]pyridine CAS Name: 3-[1-[(5-methyl-2-thiophenyl)methyl]-4-piperidin-1-iumyl]-2-phenethylimidazo[4,5-b]pyridine IUPAC Name: 3-[1-[(5-methylthiophen-2-yl)methyl]piperidin-1-ium-4-yl]-2-phenethylimidazo[4,5-b]pyridine Traditional Name: 3-[1-[(5-methyl-2-thienyl)methyl]piperidin-1-ium-4-yl]-2-phenethyl-imidazo[4,5-b]pyridine Formula: C25H29N4S+ MolecularWeight: 417.58956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C[NH+]2CCC(CC2)N3C(=NC4=C3N=CC=C4)CCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(S1)C[NH+]2CCC(CC2)N3C(=NC4=C3N=CC=C4)CCC5=CC=CC=C5

InChI

InChI=1S/C25H28N4S/c1-19-9-11-22(30-19)18-28-16-13-21(14-17-28)29-24(12-10-20-6-3-2-4-7-20)27-23-8-5-15-26-25(23)29/h2-9,11,15,21H,10,12-14,16-18H2,1H3/p+1