4,5-dimethyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-2-pyrrol-1-yl-thiophene-3-carboxamide

Systemtic Name: 4,5-dimethyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-2-pyrrol-1-yl-thiophene-3-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carboxamide CAS Name: 4,5-dimethyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-2-(1-pyrrolyl)-3-thiophenecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carboxamide Formula: C23H28N3OS+ MolecularWeight: 394.55292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)N4C=CC=C4)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)N4C=CC=C4)C

InChI

InChI=1S/C23H27N3OS/c1-17-18(2)28-23(26-12-6-7-13-26)21(17)22(27)24-20-10-14-25(15-11-20)16-19-8-4-3-5-9-19/h3-9,12-13,20H,10-11,14-16H2,1-2H3,(H,24,27)/p+1