methyl 3-oxidanyl-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]naphthalene-2-carboxylate

Systemtic Name: methyl 3-oxidanyl-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]naphthalene-2-carboxylate Openeye Name: methyl 3-hydroxy-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]naphthalene-2-carboxylate CAS Name: 3-hydroxy-4-[(4-phenyl-1-piperazin-1-iumyl)methyl]-2-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 3-hydroxy-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]naphthalene-2-carboxylate Traditional Name: 3-hydroxy-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]naphthalene-2-carboxylic acid methyl ester Formula: C23H25N2O3+ MolecularWeight: 377.4562

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=CC=CC=C2C(=C1O)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=CC=CC=C2C(=C1O)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H24N2O3/c1-28-23(27)20-15-17-7-5-6-10-19(17)21(22(20)26)16-24-11-13-25(14-12-24)18-8-3-2-4-9-18/h2-10,15,26H,11-14,16H2,1H3/p+1