3-chloranyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1-benzothiophene-2-carboxamide chloride

Systemtic Name: 3-chloranyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1-benzothiophene-2-carboxamide chloride Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-chloro-benzothiophene-2-carboxamide chloride CAS Name: 3-chloro-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-1-benzothiophene-2-carboxamide chloride IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-chloro-1-benzothiophene-2-carboxamide chloride Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-chloro-benzothiophene-2-carboxamide chloride Formula: C21H22Cl2N2OS MolecularWeight: 421.38318

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=C(C3=CC=CC=C3S2)Cl)CC4=CC=CC=C4.[Cl-]

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=C(C3=CC=CC=C3S2)Cl)CC4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C21H21ClN2OS.ClH/c22-19-17-8-4-5-9-18(17)26-20(19)21(25)23-16-10-12-24(13-11-16)14-15-6-2-1-3-7-15;/h1-9,16H,10-14H2,(H,23,25);1H