N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]-piperonylamide Formula: C18H21N2O3S+ MolecularWeight: 345.43594

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=CS4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=CS4

InChI

InChI=1S/C18H20N2O3S/c21-18(13-5-6-15-16(10-13)23-12-22-15)19-11-14(17-4-3-9-24-17)20-7-1-2-8-20/h3-6,9-10,14H,1-2,7-8,11-12H2,(H,19,21)/p+1/t14-/m0/s1