2-[[3-(3-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]carbonylamino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[[3-(3-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]carbonylamino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[[1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carbonyl]amino]ethyl-diisopropyl-ammonium CAS Name: 2-[[[3-(3-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolyl]-oxomethyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carbonyl]amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[[1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carbonyl]amino]ethyl-diisopropyl-ammonium Formula: C26H35N4O2+ MolecularWeight: 435.5817

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCNC(=O)C1=CN(N=C1C2=CC(=CC=C2)OC)CC3=CC=CC=C3)C(C)C

Isomeric SMILES

CC(C)[NH+](CCNC(=O)C1=CN(N=C1C2=CC(=CC=C2)OC)CC3=CC=CC=C3)C(C)C

InChI

InChI=1S/C26H34N4O2/c1-19(2)30(20(3)4)15-14-27-26(31)24-18-29(17-21-10-7-6-8-11-21)28-25(24)22-12-9-13-23(16-22)32-5/h6-13,16,18-20H,14-15,17H2,1-5H3,(H,27,31)/p+1