4-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-N-phenyl-benzamide

Systemtic Name: 4-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-N-phenyl-benzamide Openeye Name: 4-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-N-phenyl-benzamide CAS Name: 4-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazine-1,4-diiumyl]methyl]-N-phenylbenzamide IUPAC Name: 4-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-N-phenylbenzamide Traditional Name: 4-[[4-(coumaran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-N-phenyl-benzamide Formula: C27H31N3O2+2 MolecularWeight: 429.55394

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CC[NH+](CC3)CC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CC[NH+](CC3)CC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C27H29N3O2/c31-27(28-25-4-2-1-3-5-25)23-9-6-21(7-10-23)19-29-13-15-30(16-14-29)20-22-8-11-26-24(18-22)12-17-32-26/h1-11,18H,12-17,19-20H2,(H,28,31)/p+2