2-[1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-piperidin-1-iumyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-3,4-dihydro-1H-isoquinoline Formula: C26H33N4+ MolecularWeight: 401.56702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH+]3CCC(CC3)N4CCC5=CC=CC=C5C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH+]3CCC(CC3)N4CCC5=CC=CC=C5C4)C

InChI

InChI=1S/C26H32N4/c1-19-7-8-22(15-20(19)2)26-24(16-27-28-26)17-29-12-10-25(11-13-29)30-14-9-21-5-3-4-6-23(21)18-30/h3-8,15-16,25H,9-14,17-18H2,1-2H3,(H,27,28)/p+1