ethyl 2-methyl-5-oxidanyl-4-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]benzo[g][1]benzofuran-3-carboxylate

Systemtic Name: ethyl 2-methyl-5-oxidanyl-4-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]benzo[g][1]benzofuran-3-carboxylate Openeye Name: ethyl 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-hydroxy-2-methyl-benzo[g]benzofuran-3-carboxylate CAS Name: 5-hydroxy-2-methyl-4-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-3-benzo[g]benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-hydroxy-2-methylbenzo[g][1]benzofuran-3-carboxylate Traditional Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-hydroxy-2-methyl-benzo[g]benzofuran-3-carboxylic acid ethyl ester Formula: C29H32NO4+ MolecularWeight: 458.56868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)C[NH+]4CCC(CC4)CC5=CC=CC=C5)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)C[NH+]4CCC(CC4)CC5=CC=CC=C5)C

InChI

InChI=1S/C29H31NO4/c1-3-33-29(32)25-19(2)34-28-23-12-8-7-11-22(23)27(31)24(26(25)28)18-30-15-13-21(14-16-30)17-20-9-5-4-6-10-20/h4-12,21,31H,3,13-18H2,1-2H3/p+1