3-methyl-N-[2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethyl]-1-benzofuran-2-carboxamide

Systemtic Name: 3-methyl-N-[2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethyl]-1-benzofuran-2-carboxamide Openeye Name: N-[2-(4-benzylpiperazin-1-ium-1-yl)ethyl]-3-methyl-benzofuran-2-carboxamide CAS Name: 3-methyl-N-[2-[4-(phenylmethyl)-1-piperazin-1-iumyl]ethyl]-2-benzofurancarboxamide IUPAC Name: N-[2-(4-benzylpiperazin-1-ium-1-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide Traditional Name: N-[2-(4-benzylpiperazin-1-ium-1-yl)ethyl]-3-methyl-coumarilamide Formula: C23H28N3O2+ MolecularWeight: 378.48732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)NCC[NH+]3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)NCC[NH+]3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O2/c1-18-20-9-5-6-10-21(20)28-22(18)23(27)24-11-12-25-13-15-26(16-14-25)17-19-7-3-2-4-8-19/h2-10H,11-17H2,1H3,(H,24,27)/p+1