3-(4-tert-butylphenyl)-N-[(1,1-dimethylpyrazol-1-ium-4-yl)methyl]-2-methyl-propan-1-amine

Systemtic Name: 3-(4-tert-butylphenyl)-N-[(1,1-dimethylpyrazol-1-ium-4-yl)methyl]-2-methyl-propan-1-amine Openeye Name: 3-(4-tert-butylphenyl)-N-[(1,1-dimethylpyrazol-1-ium-4-yl)methyl]-2-methyl-propan-1-amine CAS Name: 3-(4-tert-butylphenyl)-N-[(1,1-dimethyl-4-pyrazol-1-iumyl)methyl]-2-methyl-1-propanamine IUPAC Name: 3-(4-tert-butylphenyl)-N-[(1,1-dimethylpyrazol-1-ium-4-yl)methyl]-2-methylpropan-1-amine Traditional Name: [3-(4-tert-butylphenyl)-2-methyl-propyl]-[(1,1-dimethylpyrazol-1-ium-4-yl)methyl]amine Formula: C20H32N3+ MolecularWeight: 314.48818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C(C)(C)C)CNCC2=C[N+](N=C2)(C)C

Isomeric SMILES

CC(CC1=CC=C(C=C1)C(C)(C)C)CNCC2=C[N+](N=C2)(C)C

InChI

InChI=1S/C20H32N3/c1-16(12-21-13-18-14-22-23(5,6)15-18)11-17-7-9-19(10-8-17)20(2,3)4/h7-10,14-16,21H,11-13H2,1-6H3/q+1