N-[3-[(S)-(3-chlorophenyl)-piperidin-1-ium-1-yl-methyl]-4,5-dimethyl-thiophen-2-yl]benzamide

Systemtic Name: N-[3-[(S)-(3-chlorophenyl)-piperidin-1-ium-1-yl-methyl]-4,5-dimethyl-thiophen-2-yl]benzamide Openeye Name: N-[3-[(S)-(3-chlorophenyl)-piperidin-1-ium-1-yl-methyl]-4,5-dimethyl-2-thienyl]benzamide CAS Name: N-[3-[(S)-(3-chlorophenyl)-(1-piperidin-1-iumyl)methyl]-4,5-dimethyl-2-thiophenyl]benzamide IUPAC Name: N-[3-[(S)-(3-chlorophenyl)-piperidin-1-ium-1-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide Traditional Name: N-[3-[(S)-(3-chlorophenyl)-piperidin-1-ium-1-yl-methyl]-4,5-dimethyl-2-thienyl]benzamide Formula: C25H28ClN2OS+ MolecularWeight: 440.02062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(C2=CC(=CC=C2)Cl)[NH+]3CCCCC3)NC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC(=C1[C@H](C2=CC(=CC=C2)Cl)[NH+]3CCCCC3)NC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C25H27ClN2OS/c1-17-18(2)30-25(27-24(29)19-10-5-3-6-11-19)22(17)23(28-14-7-4-8-15-28)20-12-9-13-21(26)16-20/h3,5-6,9-13,16,23H,4,7-8,14-15H2,1-2H3,(H,27,29)/p+1/t23-/m0/s1