N-cyclopentyl-2-methyl-5-oxidanyl-4-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]-1-benzofuran-3-carboxamide

Systemtic Name: N-cyclopentyl-2-methyl-5-oxidanyl-4-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]-1-benzofuran-3-carboxamide Openeye Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-cyclopentyl-5-hydroxy-2-methyl-benzofuran-3-carboxamide CAS Name: N-cyclopentyl-5-hydroxy-2-methyl-4-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-3-benzofurancarboxamide IUPAC Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-cyclopentyl-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide Traditional Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-cyclopentyl-5-hydroxy-2-methyl-benzofuran-3-carboxamide Formula: C27H34N3O3+ MolecularWeight: 448.57716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C=CC(=C2C[NH+]3CCN(CC3)CC4=CC=CC=C4)O)C(=O)NC5CCCC5

Isomeric SMILES

CC1=C(C2=C(O1)C=CC(=C2C[NH+]3CCN(CC3)CC4=CC=CC=C4)O)C(=O)NC5CCCC5

InChI

InChI=1S/C27H33N3O3/c1-19-25(27(32)28-21-9-5-6-10-21)26-22(23(31)11-12-24(26)33-19)18-30-15-13-29(14-16-30)17-20-7-3-2-4-8-20/h2-4,7-8,11-12,21,31H,5-6,9-10,13-18H2,1H3,(H,28,32)/p+1