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

Systemtic Name: [4-(phenylmethyl)piperazin-4-ium-1-yl]-(2-phenyl-1,2,3-triazol-4-yl)methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(2-phenyltriazol-4-yl)methanone CAS Name: [4-(phenylmethyl)-1-piperazin-4-iumyl]-(2-phenyl-4-triazolyl)methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(2-phenyltriazol-4-yl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(2-phenyltriazol-4-yl)methanone Formula: C20H22N5O+ MolecularWeight: 348.42158

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=NN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=NN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H21N5O/c26-20(19-15-21-25(22-19)18-9-5-2-6-10-18)24-13-11-23(12-14-24)16-17-7-3-1-4-8-17/h1-10,15H,11-14,16H2/p+1