1-[2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 1-[2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 1-[2-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]-1,2,4-triazole-3-carbonitrile CAS Name: 1-[2-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 1-[2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 1-[2-keto-2-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]ethyl]-1,2,4-triazole-3-carbonitrile Formula: C20H21N6O+ MolecularWeight: 361.42034

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)CN4C=NC(=N4)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)CN4C=NC(=N4)C#N

InChI

InChI=1S/C20H20N6O/c21-12-19-22-15-26(23-19)14-20(27)25-10-8-24(9-11-25)13-17-6-3-5-16-4-1-2-7-18(16)17/h1-7,15H,8-11,13-14H2/p+1