4-[(3-imidazol-1-ylpropylazaniumyl)methyl]benzoate

Systemtic Name: 4-[(3-imidazol-1-ylpropylazaniumyl)methyl]benzoate Openeye Name: 4-[(3-imidazol-1-ylpropylammonio)methyl]benzoate CAS Name: 4-[[3-(1-imidazolyl)propylammonio]methyl]benzoate IUPAC Name: 4-[(3-imidazol-1-ylpropylazaniumyl)methyl]benzoate Traditional Name: 4-[(3-imidazol-1-ylpropylammonio)methyl]benzoate Formula: C14H17N3O2 MolecularWeight: 259.30368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C[NH2+]CCCN2C=CN=C2)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C[NH2+]CCCN2C=CN=C2)C(=O)[O-]

InChI

InChI=1S/C14H17N3O2/c18-14(19)13-4-2-12(3-5-13)10-15-6-1-8-17-9-7-16-11-17/h2-5,7,9,11,15H,1,6,8,10H2,(H,18,19)