[3-(4-imidazol-1-ylbutanoylamino)phenyl]methylazanium

Systemtic Name: [3-(4-imidazol-1-ylbutanoylamino)phenyl]methylazanium Openeye Name: [3-(4-imidazol-1-ylbutanoylamino)phenyl]methylammonium CAS Name: [3-[[4-(1-imidazolyl)-1-oxobutyl]amino]phenyl]methylammonium IUPAC Name: [3-(4-imidazol-1-ylbutanoylamino)phenyl]methylazanium Traditional Name: [3-(4-imidazol-1-ylbutanoylamino)benzyl]ammonium Formula: C14H19N4O+ MolecularWeight: 259.32686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCCN2C=CN=C2)C[NH3+]

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCCN2C=CN=C2)C[NH3+]

InChI

InChI=1S/C14H18N4O/c15-10-12-3-1-4-13(9-12)17-14(19)5-2-7-18-8-6-16-11-18/h1,3-4,6,8-9,11H,2,5,7,10,15H2,(H,17,19)/p+1