4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-N-phenyl-piperidine-1-carboxamide

Systemtic Name: 4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-N-phenyl-piperidine-1-carboxamide Openeye Name: 4-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-carbonyl]-N-phenyl-piperidine-1-carboxamide CAS Name: 4-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-N-phenyl-1-piperidinecarboxamide IUPAC Name: 4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-carbonyl]-N-phenylpiperidine-1-carboxamide Traditional Name: 4-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-carbonyl]-N-phenyl-piperidine-1-carboxamide Formula: C26H33N4O3+ MolecularWeight: 449.56522

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4)C(=O)NC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C26H32N4O3/c31-25(21-8-11-30(12-9-21)26(32)27-23-4-2-1-3-5-23)29-15-13-28(14-16-29)19-20-6-7-24-22(18-20)10-17-33-24/h1-7,18,21H,8-17,19H2,(H,27,32)/p+1