(3-carbazol-9-yl-2-oxidanyl-propyl)-(2-hydroxyethyl)-methyl-azanium benzoate

Systemtic Name: (3-carbazol-9-yl-2-oxidanyl-propyl)-(2-hydroxyethyl)-methyl-azanium benzoate Openeye Name: (3-carbazol-9-yl-2-hydroxy-propyl)-(2-hydroxyethyl)-methyl-ammonium benzoate CAS Name: [3-(9-carbazolyl)-2-hydroxypropyl]-(2-hydroxyethyl)-methylammonium benzoate IUPAC Name: (3-carbazol-9-yl-2-hydroxypropyl)-(2-hydroxyethyl)-methylazanium benzoate Traditional Name: (3-carbazol-9-yl-2-hydroxy-propyl)-(2-hydroxyethyl)-methyl-ammonium benzoate Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCO)CC(CN1C2=CC=CC=C2C3=CC=CC=C31)O.C1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

C[NH+](CCO)CC(CN1C2=CC=CC=C2C3=CC=CC=C31)O.C1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C18H22N2O2.C7H6O2/c1-19(10-11-21)12-14(22)13-20-17-8-4-2-6-15(17)16-7-3-5-9-18(16)20;8-7(9)6-4-2-1-3-5-6/h2-9,14,21-22H,10-13H2,1H3;1-5H,(H,8,9)