N-(2-pyrrolidin-1-ium-1-ylethyl)-N-(1,3-thiazol-2-ylmethyl)-1-benzothiophene-2-carboxamide

Systemtic Name: N-(2-pyrrolidin-1-ium-1-ylethyl)-N-(1,3-thiazol-2-ylmethyl)-1-benzothiophene-2-carboxamide Openeye Name: N-(2-pyrrolidin-1-ium-1-ylethyl)-N-(thiazol-2-ylmethyl)benzothiophene-2-carboxamide CAS Name: N-[2-(1-pyrrolidin-1-iumyl)ethyl]-N-(2-thiazolylmethyl)-1-benzothiophene-2-carboxamide IUPAC Name: N-(2-pyrrolidin-1-ium-1-ylethyl)-N-(1,3-thiazol-2-ylmethyl)-1-benzothiophene-2-carboxamide Traditional Name: N-(2-pyrrolidin-1-ium-1-ylethyl)-N-(thiazol-2-ylmethyl)benzothiophene-2-carboxamide Formula: C19H22N3OS2+ MolecularWeight: 372.52748

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCN(CC2=NC=CS2)C(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

C1CC[NH+](C1)CCN(CC2=NC=CS2)C(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C19H21N3OS2/c23-19(17-13-15-5-1-2-6-16(15)25-17)22(14-18-20-7-12-24-18)11-10-21-8-3-4-9-21/h1-2,5-7,12-13H,3-4,8-11,14H2/p+1