[4-(phenylmethyl)piperazin-4-ium-1-yl]-(1H-1,2,4-triazol-5-yl)methanone

Systemtic Name: [4-(phenylmethyl)piperazin-4-ium-1-yl]-(1H-1,2,4-triazol-5-yl)methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(1H-1,2,4-triazol-5-yl)methanone CAS Name: [4-(phenylmethyl)-1-piperazin-4-iumyl]-(1H-1,2,4-triazol-5-yl)methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(1H-1,2,4-triazol-5-yl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(1H-1,2,4-triazol-5-yl)methanone Formula: C14H18N5O+ MolecularWeight: 272.32562

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=NC=NN3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=NC=NN3

InChI

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