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

Systemtic Name: 3-methyl-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3-methyl-benzofuran-2-carboxamide CAS Name: 3-methyl-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]-2-benzofurancarboxamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3-methyl-1-benzofuran-2-carboxamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3-methyl-coumarilamide Formula: C27H28N3O2+ MolecularWeight: 426.53012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)NC3=CC=C(C=C3)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)NC3=CC=C(C=C3)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H27N3O2/c1-20-24-9-5-6-10-25(24)32-26(20)27(31)28-22-11-13-23(14-12-22)30-17-15-29(16-18-30)19-21-7-3-2-4-8-21/h2-14H,15-19H2,1H3,(H,28,31)/p+1