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

Systemtic Name: 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-(3-methoxypropyl)piperidin-1-ium Openeye Name: 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-(3-methoxypropyl)piperidin-1-ium CAS Name: 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-(3-methoxypropyl)piperidin-1-ium IUPAC Name: 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-(3-methoxypropyl)piperidin-1-ium Traditional Name: 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-(3-methoxypropyl)piperidin-1-ium Formula: C21H32N3O+ MolecularWeight: 342.49828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH+]3CCC(CC3)CCCOC)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH+]3CCC(CC3)CCCOC)C

InChI

InChI=1S/C21H31N3O/c1-16-6-7-19(13-17(16)2)21-20(14-22-23-21)15-24-10-8-18(9-11-24)5-4-12-25-3/h6-7,13-14,18H,4-5,8-12,15H2,1-3H3,(H,22,23)/p+1