propan-2-yl 2-methyl-5-oxidanyl-4-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]-1-benzofuran-3-carboxylate

Systemtic Name: propan-2-yl 2-methyl-5-oxidanyl-4-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]-1-benzofuran-3-carboxylate Openeye Name: isopropyl 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-5-hydroxy-2-methyl-benzofuran-3-carboxylate CAS Name: 5-hydroxy-2-methyl-4-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-3-benzofurancarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-5-hydroxy-2-methyl-benzofuran-3-carboxylic acid isopropyl ester Formula: C25H31N2O4+ MolecularWeight: 423.52464

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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)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O4/c1-17(2)30-25(29)23-18(3)31-22-10-9-21(28)20(24(22)23)16-27-13-11-26(12-14-27)15-19-7-5-4-6-8-19/h4-10,17,28H,11-16H2,1-3H3/p+1