N-[3-[(S)-(4-bromophenyl)-(4-methylpiperidin-1-ium-1-yl)methyl]-5-ethyl-thiophen-2-yl]benzamide

Systemtic Name: N-[3-[(S)-(4-bromophenyl)-(4-methylpiperidin-1-ium-1-yl)methyl]-5-ethyl-thiophen-2-yl]benzamide Openeye Name: N-[3-[(S)-(4-bromophenyl)-(4-methylpiperidin-1-ium-1-yl)methyl]-5-ethyl-2-thienyl]benzamide CAS Name: N-[3-[(S)-(4-bromophenyl)-(4-methyl-1-piperidin-1-iumyl)methyl]-5-ethyl-2-thiophenyl]benzamide IUPAC Name: N-[3-[(S)-(4-bromophenyl)-(4-methylpiperidin-1-ium-1-yl)methyl]-5-ethylthiophen-2-yl]benzamide Traditional Name: N-[3-[(S)-(4-bromophenyl)-(4-methylpiperidin-1-ium-1-yl)methyl]-5-ethyl-2-thienyl]benzamide Formula: C26H30BrN2OS+ MolecularWeight: 498.4982

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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)Br)[NH+]4CCC(CC4)C

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)[C@H](C3=CC=C(C=C3)Br)[NH+]4CCC(CC4)C

InChI

InChI=1S/C26H29BrN2OS/c1-3-22-17-23(26(31-22)28-25(30)20-7-5-4-6-8-20)24(19-9-11-21(27)12-10-19)29-15-13-18(2)14-16-29/h4-12,17-18,24H,3,13-16H2,1-2H3,(H,28,30)/p+1/t24-/m0/s1