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

Systemtic Name: N-[3-[(S)-(4-ethoxyphenyl)-(4-ethylpiperazin-4-ium-1-yl)methyl]-5-ethyl-thiophen-2-yl]benzamide Openeye Name: N-[3-[(S)-(4-ethoxyphenyl)-(4-ethylpiperazin-4-ium-1-yl)methyl]-5-ethyl-2-thienyl]benzamide CAS Name: N-[3-[(S)-(4-ethoxyphenyl)-(4-ethyl-1-piperazin-4-iumyl)methyl]-5-ethyl-2-thiophenyl]benzamide IUPAC Name: N-[3-[(S)-(4-ethoxyphenyl)-(4-ethylpiperazin-4-ium-1-yl)methyl]-5-ethylthiophen-2-yl]benzamide Traditional Name: N-[5-ethyl-3-[(S)-(4-ethylpiperazin-4-ium-1-yl)-p-phenetyl-methyl]-2-thienyl]benzamide Formula: C28H36N3O2S+ MolecularWeight: 478.66934

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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)CC

Isomeric SMILES

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

InChI

InChI=1S/C28H35N3O2S/c1-4-24-20-25(28(34-24)29-27(32)22-10-8-7-9-11-22)26(31-18-16-30(5-2)17-19-31)21-12-14-23(15-13-21)33-6-3/h7-15,20,26H,4-6,16-19H2,1-3H3,(H,29,32)/p+1/t26-/m0/s1