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

Systemtic Name: N-[5-ethyl-3-[(S)-(4-methylpiperazin-4-ium-1-yl)-(4-propan-2-ylphenyl)methyl]thiophen-2-yl]benzamide Openeye Name: N-[5-ethyl-3-[(S)-(4-isopropylphenyl)-(4-methylpiperazin-4-ium-1-yl)methyl]-2-thienyl]benzamide CAS Name: N-[5-ethyl-3-[(S)-(4-methyl-1-piperazin-4-iumyl)-(4-propan-2-ylphenyl)methyl]-2-thiophenyl]benzamide IUPAC Name: N-[5-ethyl-3-[(S)-(4-methylpiperazin-4-ium-1-yl)-(4-propan-2-ylphenyl)methyl]thiophen-2-yl]benzamide Traditional Name: N-[5-ethyl-3-[(S)-(4-methylpiperazin-4-ium-1-yl)-p-cumenyl-methyl]-2-thienyl]benzamide Formula: C28H36N3OS+ MolecularWeight: 462.66994

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

Isomeric SMILES

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

InChI

InChI=1S/C28H35N3OS/c1-5-24-19-25(28(33-24)29-27(32)23-9-7-6-8-10-23)26(31-17-15-30(4)16-18-31)22-13-11-21(12-14-22)20(2)3/h6-14,19-20,26H,5,15-18H2,1-4H3,(H,29,32)/p+1/t26-/m0/s1