N-[(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide

Systemtic Name: N-[(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide Openeye Name: N-[(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-3-methyl-benzofuran-2-carboxamide CAS Name: N-[(2S)-2-(4-chlorophenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]-3-methyl-2-benzofurancarboxamide IUPAC Name: N-[(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide Traditional Name: N-[(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-3-methyl-coumarilamide Formula: C23H27ClN3O2+ MolecularWeight: 412.93238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)NCC(C3=CC=C(C=C3)Cl)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)NC[C@H](C3=CC=C(C=C3)Cl)N4CC[NH+](CC4)C

InChI

InChI=1S/C23H26ClN3O2/c1-16-19-5-3-4-6-21(19)29-22(16)23(28)25-15-20(17-7-9-18(24)10-8-17)27-13-11-26(2)12-14-27/h3-10,20H,11-15H2,1-2H3,(H,25,28)/p+1/t20-/m1/s1