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

Systemtic Name: 2-phenoxyethyl 2-methyl-5-oxidanyl-4-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]-1-benzofuran-3-carboxylate Openeye Name: 2-phenoxyethyl 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 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 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 2-phenoxyethyl ester Formula: C30H33N2O5+ MolecularWeight: 501.59342

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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)OCCOC5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=C(O1)C=CC(=C2C[NH+]3CCN(CC3)CC4=CC=CC=C4)O)C(=O)OCCOC5=CC=CC=C5

InChI

InChI=1S/C30H32N2O5/c1-22-28(30(34)36-19-18-35-24-10-6-3-7-11-24)29-25(26(33)12-13-27(29)37-22)21-32-16-14-31(15-17-32)20-23-8-4-2-5-9-23/h2-13,33H,14-21H2,1H3/p+1