N-[5-ethyl-3-(pyrrolidin-1-ium-1-ylmethyl)thiophen-2-yl]benzamide

Systemtic Name: N-[5-ethyl-3-(pyrrolidin-1-ium-1-ylmethyl)thiophen-2-yl]benzamide Openeye Name: N-[5-ethyl-3-(pyrrolidin-1-ium-1-ylmethyl)-2-thienyl]benzamide CAS Name: N-[5-ethyl-3-(1-pyrrolidin-1-iumylmethyl)-2-thiophenyl]benzamide IUPAC Name: N-[5-ethyl-3-(pyrrolidin-1-ium-1-ylmethyl)thiophen-2-yl]benzamide Traditional Name: N-[5-ethyl-3-(pyrrolidin-1-ium-1-ylmethyl)-2-thienyl]benzamide Formula: C18H23N2OS+ MolecularWeight: 315.45302

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)C[NH+]3CCCC3

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)C[NH+]3CCCC3

InChI

InChI=1S/C18H22N2OS/c1-2-16-12-15(13-20-10-6-7-11-20)18(22-16)19-17(21)14-8-4-3-5-9-14/h3-5,8-9,12H,2,6-7,10-11,13H2,1H3,(H,19,21)/p+1