N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)-1-benzothiophene-2-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)-1-benzothiophene-2-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)benzothiophene-2-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)-1-benzothiophene-2-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)benzothiophene-2-carboxamide Formula: C24H27N2O3S+ MolecularWeight: 423.54778

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCN(CC2=CC3=C(C=C2)OCCO3)C(=O)C4=CC5=CC=CC=C5S4

Isomeric SMILES

C1CC[NH+](C1)CCN(CC2=CC3=C(C=C2)OCCO3)C(=O)C4=CC5=CC=CC=C5S4

InChI

InChI=1S/C24H26N2O3S/c27-24(23-16-19-5-1-2-6-22(19)30-23)26(12-11-25-9-3-4-10-25)17-18-7-8-20-21(15-18)29-14-13-28-20/h1-2,5-8,15-16H,3-4,9-14,17H2/p+1