3-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]carbonylamino]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]carbonylamino]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[[3,5-dimethyl-1-(p-tolylmethyl)pyrazole-4-carbonyl]amino]propyl]-methyl-ammonium CAS Name: 3-[[[3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-pyrazolyl]-oxomethyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]propyl]-methylazanium Traditional Name: benzyl-[3-[[3,5-dimethyl-1-(4-methylbenzyl)pyrazole-4-carbonyl]amino]propyl]-methyl-ammonium Formula: C25H33N4O+ MolecularWeight: 405.55572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NCCC[NH+](C)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NCCC[NH+](C)CC3=CC=CC=C3)C

InChI

InChI=1S/C25H32N4O/c1-19-11-13-23(14-12-19)18-29-21(3)24(20(2)27-29)25(30)26-15-8-16-28(4)17-22-9-6-5-7-10-22/h5-7,9-14H,8,15-18H2,1-4H3,(H,26,30)/p+1