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

Systemtic Name: N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-3-pyrrol-1-yl-thiophene-2-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-pyrrol-1-yl-thiophene-2-carboxamide CAS Name: N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-(1-pyrrolyl)-2-thiophenecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-pyrrol-1-ylthiophene-2-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-pyrrol-1-yl-thiophene-2-carboxamide Formula: C21H24N3OS+ MolecularWeight: 366.49976

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=C(C=CS2)N3C=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=C(C=CS2)N3C=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H23N3OS/c25-21(20-19(10-15-26-20)24-11-4-5-12-24)22-18-8-13-23(14-9-18)16-17-6-2-1-3-7-17/h1-7,10-12,15,18H,8-9,13-14,16H2,(H,22,25)/p+1