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

Systemtic Name: [4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]-(2-phenyl-1,2,3-triazol-4-yl)methanone Openeye Name: (4-benzyl-1,4-diazepan-4-ium-1-yl)-(2-phenyltriazol-4-yl)methanone CAS Name: [4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]-(2-phenyl-4-triazolyl)methanone IUPAC Name: (4-benzyl-1,4-diazepan-4-ium-1-yl)-(2-phenyltriazol-4-yl)methanone Traditional Name: (4-benzyl-1,4-diazepan-4-ium-1-yl)-(2-phenyltriazol-4-yl)methanone Formula: C21H24N5O+ MolecularWeight: 362.44816

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=O)C2=NN(N=C2)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCN(C1)C(=O)C2=NN(N=C2)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H23N5O/c27-21(20-16-22-26(23-20)19-10-5-2-6-11-19)25-13-7-12-24(14-15-25)17-18-8-3-1-4-9-18/h1-6,8-11,16H,7,12-15,17H2/p+1