[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(4-phenyloxan-4-yl)methyl]azanium

Systemtic Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(4-phenyloxan-4-yl)methyl]azanium Openeye Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(4-phenyltetrahydropyran-4-yl)methyl]ammonium CAS Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(4-phenyl-4-oxanyl)methyl]ammonium IUPAC Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(4-phenyloxan-4-yl)methyl]azanium Traditional Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(4-phenyltetrahydropyran-4-yl)methyl]ammonium Formula: C24H30N3O+ MolecularWeight: 376.5145

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH2+]CC3(CCOCC3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH2+]CC3(CCOCC3)C4=CC=CC=C4)C

InChI

InChI=1S/C24H29N3O/c1-18-8-9-20(14-19(18)2)23-21(16-26-27-23)15-25-17-24(10-12-28-13-11-24)22-6-4-3-5-7-22/h3-9,14,16,25H,10-13,15,17H2,1-2H3,(H,26,27)/p+1