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

Systemtic Name: N-[4,5-dimethyl-3-[(S)-(4-methylpiperidin-1-ium-1-yl)-phenyl-methyl]thiophen-2-yl]benzamide Openeye Name: N-[4,5-dimethyl-3-[(S)-(4-methylpiperidin-1-ium-1-yl)-phenyl-methyl]-2-thienyl]benzamide CAS Name: N-[4,5-dimethyl-3-[(S)-(4-methyl-1-piperidin-1-iumyl)-phenylmethyl]-2-thiophenyl]benzamide IUPAC Name: N-[4,5-dimethyl-3-[(S)-(4-methylpiperidin-1-ium-1-yl)-phenylmethyl]thiophen-2-yl]benzamide Traditional Name: N-[4,5-dimethyl-3-[(S)-(4-methylpiperidin-1-ium-1-yl)-phenyl-methyl]-2-thienyl]benzamide Formula: C26H31N2OS+ MolecularWeight: 419.60214

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(C2=CC=CC=C2)C3=C(SC(=C3C)C)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1CC[NH+](CC1)[C@@H](C2=CC=CC=C2)C3=C(SC(=C3C)C)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H30N2OS/c1-18-14-16-28(17-15-18)24(21-10-6-4-7-11-21)23-19(2)20(3)30-26(23)27-25(29)22-12-8-5-9-13-22/h4-13,18,24H,14-17H2,1-3H3,(H,27,29)/p+1/t24-/m0/s1