(3,5-dimethyl-1-propan-2-yl-pyrazol-4-yl)methyl-(3-imidazol-1-ylpropyl)-[(2-methylphenyl)methyl]azanium

Systemtic Name: (3,5-dimethyl-1-propan-2-yl-pyrazol-4-yl)methyl-(3-imidazol-1-ylpropyl)-[(2-methylphenyl)methyl]azanium Openeye Name: 3-imidazol-1-ylpropyl-[(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)methyl]-(o-tolylmethyl)ammonium CAS Name: (3,5-dimethyl-1-propan-2-yl-4-pyrazolyl)methyl-[3-(1-imidazolyl)propyl]-[(2-methylphenyl)methyl]ammonium IUPAC Name: (3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl-(3-imidazol-1-ylpropyl)-[(2-methylphenyl)methyl]azanium Traditional Name: 3-imidazol-1-ylpropyl-[(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)methyl]-(2-methylbenzyl)ammonium Formula: C23H34N5+ MolecularWeight: 380.54956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+](CCCN2C=CN=C2)CC3=C(N(N=C3C)C(C)C)C

Isomeric SMILES

CC1=CC=CC=C1C[NH+](CCCN2C=CN=C2)CC3=C(N(N=C3C)C(C)C)C

InChI

InChI=1S/C23H33N5/c1-18(2)28-21(5)23(20(4)25-28)16-27(13-8-12-26-14-11-24-17-26)15-22-10-7-6-9-19(22)3/h6-7,9-11,14,17-18H,8,12-13,15-16H2,1-5H3/p+1