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

Systemtic Name: N-cyclohexyl-4-[(4-ethylpiperazin-4-ium-1-yl)methyl]-2-methyl-5-oxidanyl-1-benzofuran-3-carboxamide Openeye Name: N-cyclohexyl-4-[(4-ethylpiperazin-4-ium-1-yl)methyl]-5-hydroxy-2-methyl-benzofuran-3-carboxamide CAS Name: N-cyclohexyl-4-[(4-ethyl-1-piperazin-4-iumyl)methyl]-5-hydroxy-2-methyl-3-benzofurancarboxamide IUPAC Name: N-cyclohexyl-4-[(4-ethylpiperazin-4-ium-1-yl)methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide Traditional Name: N-cyclohexyl-4-[(4-ethylpiperazin-4-ium-1-yl)methyl]-5-hydroxy-2-methyl-benzofuran-3-carboxamide Formula: C23H34N3O3+ MolecularWeight: 400.53436

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=C(C=CC3=C2C(=C(O3)C)C(=O)NC4CCCCC4)O

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=C(C=CC3=C2C(=C(O3)C)C(=O)NC4CCCCC4)O

InChI

InChI=1S/C23H33N3O3/c1-3-25-11-13-26(14-12-25)15-18-19(27)9-10-20-22(18)21(16(2)29-20)23(28)24-17-7-5-4-6-8-17/h9-10,17,27H,3-8,11-15H2,1-2H3,(H,24,28)/p+1