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

Systemtic Name: N-[3-[(S)-(4-ethoxyphenyl)-(4-methylpiperazin-4-ium-1-yl)methyl]-5-ethyl-thiophen-2-yl]benzamide Openeye Name: N-[3-[(S)-(4-ethoxyphenyl)-(4-methylpiperazin-4-ium-1-yl)methyl]-5-ethyl-2-thienyl]benzamide CAS Name: N-[3-[(S)-(4-ethoxyphenyl)-(4-methyl-1-piperazin-4-iumyl)methyl]-5-ethyl-2-thiophenyl]benzamide IUPAC Name: N-[3-[(S)-(4-ethoxyphenyl)-(4-methylpiperazin-4-ium-1-yl)methyl]-5-ethylthiophen-2-yl]benzamide Traditional Name: N-[5-ethyl-3-[(S)-(4-methylpiperazin-4-ium-1-yl)-p-phenetyl-methyl]-2-thienyl]benzamide Formula: C27H34N3O2S+ MolecularWeight: 464.64276

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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)OCC)N4CC[NH+](CC4)C

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)[C@H](C3=CC=C(C=C3)OCC)N4CC[NH+](CC4)C

InChI

InChI=1S/C27H33N3O2S/c1-4-23-19-24(27(33-23)28-26(31)21-9-7-6-8-10-21)25(30-17-15-29(3)16-18-30)20-11-13-22(14-12-20)32-5-2/h6-14,19,25H,4-5,15-18H2,1-3H3,(H,28,31)/p+1/t25-/m0/s1