1-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(phenylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(phenylmethyl)piperazine-1,4-diium Openeye Name: 1-benzyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]piperazine-1,4-diium CAS Name: 1-[(3,5-dimethyl-1-pyrazolyl)methyl]-4-(phenylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]piperazine-1,4-diium Traditional Name: 1-benzyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]piperazine-1,4-diium Formula: C17H26N4+2 MolecularWeight: 286.41514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NN1C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C17H24N4/c1-15-12-16(2)21(18-15)14-20-10-8-19(9-11-20)13-17-6-4-3-5-7-17/h3-7,12H,8-11,13-14H2,1-2H3/p+2