N-[5-ethyl-3-(4-methoxyphenyl)carbonyl-thiophen-2-yl]-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[5-ethyl-3-(4-methoxyphenyl)carbonyl-thiophen-2-yl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[5-ethyl-3-(4-methoxybenzoyl)-2-thienyl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[5-ethyl-3-[(4-methoxyphenyl)-oxomethyl]-2-thiophenyl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-(5-ethyl-3-p-anisoyl-2-thienyl)-2-piperidin-1-ium-1-yl-acetamide Formula: C21H27N2O3S+ MolecularWeight: 387.51568

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C[NH+]2CCCCC2)C(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C[NH+]2CCCCC2)C(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H26N2O3S/c1-3-17-13-18(20(25)15-7-9-16(26-2)10-8-15)21(27-17)22-19(24)14-23-11-5-4-6-12-23/h7-10,13H,3-6,11-12,14H2,1-2H3,(H,22,24)/p+1