3-chloranyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]benzothiophene-2-carboxamide Formula: C21H22ClN2OS+ MolecularWeight: 385.93018

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

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