4-[[2-(1H-indol-3-yl)ethylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[2-(1H-indol-3-yl)ethylazaniumyl]methyl]benzoate Openeye Name: 4-[[2-(1H-indol-3-yl)ethylammonio]methyl]benzoate CAS Name: 4-[[2-(1H-indol-3-yl)ethylammonio]methyl]benzoate IUPAC Name: 4-[[2-(1H-indol-3-yl)ethylazaniumyl]methyl]benzoate Traditional Name: 4-[[2-(1H-indol-3-yl)ethylammonio]methyl]benzoate Formula: C18H18N2O2 MolecularWeight: 294.34772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC[NH2+]CC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC[NH2+]CC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C18H18N2O2/c21-18(22)14-7-5-13(6-8-14)11-19-10-9-15-12-20-17-4-2-1-3-16(15)17/h1-8,12,19-20H,9-11H2,(H,21,22)