N-[(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-3,5-dimethyl-1-benzofuran-2-carboxamide

Systemtic Name: N-[(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-3,5-dimethyl-1-benzofuran-2-carboxamide Openeye Name: N-[(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-3,5-dimethyl-benzofuran-2-carboxamide CAS Name: N-[(2S)-2-(4-chlorophenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]-3,5-dimethyl-2-benzofurancarboxamide IUPAC Name: N-[(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-3,5-dimethyl-1-benzofuran-2-carboxamide Traditional Name: N-[(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-3,5-dimethyl-coumarilamide Formula: C24H29ClN3O2+ MolecularWeight: 426.95896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=C2C)C(=O)NCC(C3=CC=C(C=C3)Cl)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=C2C)C(=O)NC[C@H](C3=CC=C(C=C3)Cl)N4CC[NH+](CC4)C

InChI

InChI=1S/C24H28ClN3O2/c1-16-4-9-22-20(14-16)17(2)23(30-22)24(29)26-15-21(18-5-7-19(25)8-6-18)28-12-10-27(3)11-13-28/h4-9,14,21H,10-13,15H2,1-3H3,(H,26,29)/p+1/t21-/m1/s1