N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]-3-thiophen-2-yl-propanamide

Systemtic Name: N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]-3-thiophen-2-yl-propanamide Openeye Name: N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]-3-(2-thienyl)propanamide CAS Name: N-[[6-(1-pyrrolidinyl)-3-pyridin-1-iumyl]methyl]-3-thiophen-2-ylpropanamide IUPAC Name: N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]-3-thiophen-2-ylpropanamide Traditional Name: N-[(6-pyrrolidinopyridin-1-ium-3-yl)methyl]-3-(2-thienyl)propionamide Formula: C17H22N3OS+ MolecularWeight: 316.44108

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=[NH+]C=C(C=C2)CNC(=O)CCC3=CC=CS3

Isomeric SMILES

C1CCN(C1)C2=[NH+]C=C(C=C2)CNC(=O)CCC3=CC=CS3

InChI

InChI=1S/C17H21N3OS/c21-17(8-6-15-4-3-11-22-15)19-13-14-5-7-16(18-12-14)20-9-1-2-10-20/h3-5,7,11-12H,1-2,6,8-10,13H2,(H,19,21)/p+1