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

Systemtic Name: N-[3-[(S)-(3-methoxyphenyl)-piperidin-1-ium-1-yl-methyl]-4,5-dimethyl-thiophen-2-yl]benzamide Openeye Name: N-[3-[(S)-(3-methoxyphenyl)-piperidin-1-ium-1-yl-methyl]-4,5-dimethyl-2-thienyl]benzamide CAS Name: N-[3-[(S)-(3-methoxyphenyl)-(1-piperidin-1-iumyl)methyl]-4,5-dimethyl-2-thiophenyl]benzamide IUPAC Name: N-[3-[(S)-(3-methoxyphenyl)-piperidin-1-ium-1-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide Traditional Name: N-[3-[(S)-(3-methoxyphenyl)-piperidin-1-ium-1-yl-methyl]-4,5-dimethyl-2-thienyl]benzamide Formula: C26H31N2O2S+ MolecularWeight: 435.60154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O2S/c1-18-19(2)31-26(27-25(29)20-11-6-4-7-12-20)23(18)24(28-15-8-5-9-16-28)21-13-10-14-22(17-21)30-3/h4,6-7,10-14,17,24H,5,8-9,15-16H2,1-3H3,(H,27,29)/p+1/t24-/m0/s1