N-[3-[(S)-(2-chlorophenyl)-piperidin-1-ium-1-yl-methyl]-5-ethyl-thiophen-2-yl]benzamide

Systemtic Name: N-[3-[(S)-(2-chlorophenyl)-piperidin-1-ium-1-yl-methyl]-5-ethyl-thiophen-2-yl]benzamide Openeye Name: N-[3-[(S)-(2-chlorophenyl)-piperidin-1-ium-1-yl-methyl]-5-ethyl-2-thienyl]benzamide CAS Name: N-[3-[(S)-(2-chlorophenyl)-(1-piperidin-1-iumyl)methyl]-5-ethyl-2-thiophenyl]benzamide IUPAC Name: N-[3-[(S)-(2-chlorophenyl)-piperidin-1-ium-1-ylmethyl]-5-ethylthiophen-2-yl]benzamide Traditional Name: N-[3-[(S)-(2-chlorophenyl)-piperidin-1-ium-1-yl-methyl]-5-ethyl-2-thienyl]benzamide Formula: C25H28ClN2OS+ MolecularWeight: 440.02062

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)C(C3=CC=CC=C3Cl)[NH+]4CCCCC4

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)[C@@H](C3=CC=CC=C3Cl)[NH+]4CCCCC4

InChI

InChI=1S/C25H27ClN2OS/c1-2-19-17-21(25(30-19)27-24(29)18-11-5-3-6-12-18)23(28-15-9-4-10-16-28)20-13-7-8-14-22(20)26/h3,5-8,11-14,17,23H,2,4,9-10,15-16H2,1H3,(H,27,29)/p+1/t23-/m1/s1