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

Systemtic Name: methyl 4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-3-oxidanyl-naphthalene-2-carboxylate Openeye Name: methyl 3-hydroxy-4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]naphthalene-2-carboxylate CAS Name: 3-hydroxy-4-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-2-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 3-hydroxy-4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]naphthalene-2-carboxylate Traditional Name: 3-hydroxy-4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]naphthalene-2-carboxylic acid methyl ester Formula: C23H24N3O5+ MolecularWeight: 422.45376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O5/c1-31-23(28)20-14-16-4-2-3-5-19(16)21(22(20)27)15-24-10-12-25(13-11-24)17-6-8-18(9-7-17)26(29)30/h2-9,14,27H,10-13,15H2,1H3/p+1