N-[4-[4-(3-methylphenyl)piperazin-1-ium-1-yl]butyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[4-[4-(3-methylphenyl)piperazin-1-ium-1-yl]butyl]-1-benzofuran-2-carboxamide Openeye Name: N-[4-[4-(m-tolyl)piperazin-1-ium-1-yl]butyl]benzofuran-2-carboxamide CAS Name: N-[4-[4-(3-methylphenyl)-1-piperazin-1-iumyl]butyl]-2-benzofurancarboxamide IUPAC Name: N-[4-[4-(3-methylphenyl)piperazin-1-ium-1-yl]butyl]-1-benzofuran-2-carboxamide Traditional Name: N-[4-[4-(m-tolyl)piperazin-1-ium-1-yl]butyl]coumarilamide Formula: C24H30N3O2+ MolecularWeight: 392.5139

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCCCNC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCCCNC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C24H29N3O2/c1-19-7-6-9-21(17-19)27-15-13-26(14-16-27)12-5-4-11-25-24(28)23-18-20-8-2-3-10-22(20)29-23/h2-3,6-10,17-18H,4-5,11-16H2,1H3,(H,25,28)/p+1