4-[[(9-ethylcarbazol-3-yl)methylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[(9-ethylcarbazol-3-yl)methylazaniumyl]methyl]benzoate Openeye Name: 4-[[(9-ethylcarbazol-3-yl)methylammonio]methyl]benzoate CAS Name: 4-[[(9-ethyl-3-carbazolyl)methylammonio]methyl]benzoate IUPAC Name: 4-[[(9-ethylcarbazol-3-yl)methylazaniumyl]methyl]benzoate Traditional Name: 4-[[(9-ethylcarbazol-3-yl)methylammonio]methyl]benzoate Formula: C23H22N2O2 MolecularWeight: 358.43298

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C[NH2+]CC3=CC=C(C=C3)C(=O)[O-])C4=CC=CC=C41

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C[NH2+]CC3=CC=C(C=C3)C(=O)[O-])C4=CC=CC=C41

InChI

InChI=1S/C23H22N2O2/c1-2-25-21-6-4-3-5-19(21)20-13-17(9-12-22(20)25)15-24-14-16-7-10-18(11-8-16)23(26)27/h3-13,24H,2,14-15H2,1H3,(H,26,27)