N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzothiophene-2-carboxamide CAS Name: N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide Traditional Name: N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]benzothiophene-2-carboxamide Formula: C21H23N2OS+ MolecularWeight: 351.48512

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N2OS/c24-21(20-13-18-5-1-2-6-19(18)25-20)22-14-16-7-9-17(10-8-16)15-23-11-3-4-12-23/h1-2,5-10,13H,3-4,11-12,14-15H2,(H,22,24)/p+1