[2-(1H-indol-6-yl)-2-oxidanyl-ethyl]-methyl-azanium benzoate

Systemtic Name: [2-(1H-indol-6-yl)-2-oxidanyl-ethyl]-methyl-azanium benzoate Openeye Name: [2-hydroxy-2-(1H-indol-6-yl)ethyl]-methyl-ammonium benzoate CAS Name: [2-hydroxy-2-(1H-indol-6-yl)ethyl]-methylammonium benzoate IUPAC Name: [2-hydroxy-2-(1H-indol-6-yl)ethyl]-methylazanium benzoate Traditional Name: [2-hydroxy-2-(1H-indol-6-yl)ethyl]-methyl-ammonium benzoate Formula: C18H20N2O3 MolecularWeight: 312.363

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CC(C1=CC2=C(C=C1)C=CN2)O.C1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

C[NH2+]CC(C1=CC2=C(C=C1)C=CN2)O.C1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C11H14N2O.C7H6O2/c1-12-7-11(14)9-3-2-8-4-5-13-10(8)6-9;8-7(9)6-4-2-1-3-5-6/h2-6,11-14H,7H2,1H3;1-5H,(H,8,9)