[3-(3-imidazol-1-ylpropanoylamino)phenyl]methylazanium

Systemtic Name: [3-(3-imidazol-1-ylpropanoylamino)phenyl]methylazanium Openeye Name: [3-(3-imidazol-1-ylpropanoylamino)phenyl]methylammonium CAS Name: [3-[[3-(1-imidazolyl)-1-oxopropyl]amino]phenyl]methylammonium IUPAC Name: [3-(3-imidazol-1-ylpropanoylamino)phenyl]methylazanium Traditional Name: [3-(3-imidazol-1-ylpropanoylamino)benzyl]ammonium Formula: C13H17N4O+ MolecularWeight: 245.30028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCN2C=CN=C2)C[NH3+]

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCN2C=CN=C2)C[NH3+]

InChI

InChI=1S/C13H16N4O/c14-9-11-2-1-3-12(8-11)16-13(18)4-6-17-7-5-15-10-17/h1-3,5,7-8,10H,4,6,9,14H2,(H,16,18)/p+1