N-(1,3-benzodioxol-4-ylmethyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)-1-benzothiophene-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-4-ylmethyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)-1-benzothiophene-2-carboxamide Openeye Name: N-(1,3-benzodioxol-4-ylmethyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)benzothiophene-2-carboxamide CAS Name: N-(1,3-benzodioxol-4-ylmethyl)-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-(1,3-benzodioxol-4-ylmethyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)-1-benzothiophene-2-carboxamide Traditional Name: N-(1,3-benzodioxol-4-ylmethyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)benzothiophene-2-carboxamide Formula: C23H25N2O3S+ MolecularWeight: 409.5212

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCN(CC2=C3C(=CC=C2)OCO3)C(=O)C4=CC5=CC=CC=C5S4

Isomeric SMILES

C1CC[NH+](C1)CCN(CC2=C3C(=CC=C2)OCO3)C(=O)C4=CC5=CC=CC=C5S4

InChI

InChI=1S/C23H24N2O3S/c26-23(21-14-17-6-1-2-9-20(17)29-21)25(13-12-24-10-3-4-11-24)15-18-7-5-8-19-22(18)28-16-27-19/h1-2,5-9,14H,3-4,10-13,15-16H2/p+1