methyl-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-propan-2-yl-azanium

Systemtic Name: methyl-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-propan-2-yl-azanium Openeye Name: isopropyl-methyl-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]ammonium CAS Name: methyl-[[1-methyl-3-(4-phenoxyphenyl)-4-pyrazolyl]methyl]-propan-2-ylammonium IUPAC Name: methyl-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-propan-2-ylazanium Traditional Name: isopropyl-methyl-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]ammonium Formula: C21H26N3O+ MolecularWeight: 336.45064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](C)CC1=CN(N=C1C2=CC=C(C=C2)OC3=CC=CC=C3)C

Isomeric SMILES

CC(C)[NH+](C)CC1=CN(N=C1C2=CC=C(C=C2)OC3=CC=CC=C3)C

InChI

InChI=1S/C21H25N3O/c1-16(2)23(3)14-18-15-24(4)22-21(18)17-10-12-20(13-11-17)25-19-8-6-5-7-9-19/h5-13,15-16H,14H2,1-4H3/p+1