N-(2,6-diethylphenyl)-4-[(4-ethylpiperazin-4-ium-1-yl)methyl]-2-methyl-5-oxidanyl-1-benzofuran-3-carboxamide

Systemtic Name: N-(2,6-diethylphenyl)-4-[(4-ethylpiperazin-4-ium-1-yl)methyl]-2-methyl-5-oxidanyl-1-benzofuran-3-carboxamide Openeye Name: N-(2,6-diethylphenyl)-4-[(4-ethylpiperazin-4-ium-1-yl)methyl]-5-hydroxy-2-methyl-benzofuran-3-carboxamide CAS Name: N-(2,6-diethylphenyl)-4-[(4-ethyl-1-piperazin-4-iumyl)methyl]-5-hydroxy-2-methyl-3-benzofurancarboxamide IUPAC Name: N-(2,6-diethylphenyl)-4-[(4-ethylpiperazin-4-ium-1-yl)methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide Traditional Name: N-(2,6-diethylphenyl)-4-[(4-ethylpiperazin-4-ium-1-yl)methyl]-5-hydroxy-2-methyl-benzofuran-3-carboxamide Formula: C27H36N3O3+ MolecularWeight: 450.59304

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C2=C(OC3=C2C(=C(C=C3)O)CN4CC[NH+](CC4)CC)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C2=C(OC3=C2C(=C(C=C3)O)CN4CC[NH+](CC4)CC)C

InChI

InChI=1S/C27H35N3O3/c1-5-19-9-8-10-20(6-2)26(19)28-27(32)24-18(4)33-23-12-11-22(31)21(25(23)24)17-30-15-13-29(7-3)14-16-30/h8-12,31H,5-7,13-17H2,1-4H3,(H,28,32)/p+1