[1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-diphenyl-methanol

Systemtic Name: [1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-diphenyl-methanol Openeye Name: [1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-diphenyl-methanol CAS Name: [1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-piperidin-1-iumyl]-diphenylmethanol IUPAC Name: [1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-diphenylmethanol Traditional Name: [1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-diphenyl-methanol Formula: C30H34N3O+ MolecularWeight: 452.61046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH+]3CCC(CC3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH+]3CCC(CC3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O)C

InChI

InChI=1S/C30H33N3O/c1-22-13-14-24(19-23(22)2)29-25(20-31-32-29)21-33-17-15-28(16-18-33)30(34,26-9-5-3-6-10-26)27-11-7-4-8-12-27/h3-14,19-20,28,34H,15-18,21H2,1-2H3,(H,31,32)/p+1