1,4-diazepan-4-ium-1-yl-(2-phenyl-1,2,3-triazol-4-yl)methanone

Systemtic Name: 1,4-diazepan-4-ium-1-yl-(2-phenyl-1,2,3-triazol-4-yl)methanone Openeye Name: 1,4-diazepan-4-ium-1-yl-(2-phenyltriazol-4-yl)methanone CAS Name: 1,4-diazepan-4-ium-1-yl-(2-phenyl-4-triazolyl)methanone IUPAC Name: 1,4-diazepan-4-ium-1-yl-(2-phenyltriazol-4-yl)methanone Traditional Name: 1,4-diazepan-4-ium-1-yl-(2-phenyltriazol-4-yl)methanone Formula: C14H18N5O+ MolecularWeight: 272.32562

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C(=O)C2=NN(N=C2)C3=CC=CC=C3

Isomeric SMILES

C1C[NH2+]CCN(C1)C(=O)C2=NN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C14H17N5O/c20-14(18-9-4-7-15-8-10-18)13-11-16-19(17-13)12-5-2-1-3-6-12/h1-3,5-6,11,15H,4,7-10H2/p+1