2-[[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carbonyl]amino]ethyl-diisopropyl-ammonium CAS Name: 2-[[[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carbonyl]amino]ethyl-diisopropyl-ammonium Formula: C26H35N4O3+ MolecularWeight: 451.5811

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCNC(=O)C1=CN(N=C1C2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3)C(C)C

Isomeric SMILES

CC(C)[NH+](CCNC(=O)C1=CN(N=C1C2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3)C(C)C

InChI

InChI=1S/C26H34N4O3/c1-18(2)29(19(3)4)15-14-27-26(31)22-17-30(21-10-8-7-9-11-21)28-25(22)20-12-13-23(32-5)24(16-20)33-6/h7-13,16-19H,14-15H2,1-6H3,(H,27,31)/p+1