N-[3-[(R)-(4-ethoxyphenyl)-piperidin-1-ium-1-yl-methyl]-5-ethyl-thiophen-2-yl]benzamide

Systemtic Name: N-[3-[(R)-(4-ethoxyphenyl)-piperidin-1-ium-1-yl-methyl]-5-ethyl-thiophen-2-yl]benzamide Openeye Name: N-[3-[(R)-(4-ethoxyphenyl)-piperidin-1-ium-1-yl-methyl]-5-ethyl-2-thienyl]benzamide CAS Name: N-[3-[(R)-(4-ethoxyphenyl)-(1-piperidin-1-iumyl)methyl]-5-ethyl-2-thiophenyl]benzamide IUPAC Name: N-[3-[(R)-(4-ethoxyphenyl)-piperidin-1-ium-1-ylmethyl]-5-ethylthiophen-2-yl]benzamide Traditional Name: N-[5-ethyl-3-[(R)-piperidin-1-ium-1-yl(p-phenetyl)methyl]-2-thienyl]benzamide Formula: C27H33N2O2S+ MolecularWeight: 449.62812

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)C(C3=CC=C(C=C3)OCC)[NH+]4CCCCC4

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)[C@@H](C3=CC=C(C=C3)OCC)[NH+]4CCCCC4

InChI

InChI=1S/C27H32N2O2S/c1-3-23-19-24(27(32-23)28-26(30)21-11-7-5-8-12-21)25(29-17-9-6-10-18-29)20-13-15-22(16-14-20)31-4-2/h5,7-8,11-16,19,25H,3-4,6,9-10,17-18H2,1-2H3,(H,28,30)/p+1/t25-/m1/s1