3-ethoxy-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]benzamide

Systemtic Name: 3-ethoxy-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]benzamide Openeye Name: 3-ethoxy-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]benzamide CAS Name: 3-ethoxy-N-[(2S)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]benzamide IUPAC Name: 3-ethoxy-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]benzamide Traditional Name: 3-ethoxy-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]benzamide Formula: C21H29N2O2S+ MolecularWeight: 373.53216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NCC(C2=CC=CS2)[NH+]3CCC(CC3)C

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NC[C@@H](C2=CC=CS2)[NH+]3CCC(CC3)C

InChI

InChI=1S/C21H28N2O2S/c1-3-25-18-7-4-6-17(14-18)21(24)22-15-19(20-8-5-13-26-20)23-11-9-16(2)10-12-23/h4-8,13-14,16,19H,3,9-12,15H2,1-2H3,(H,22,24)/p+1/t19-/m0/s1