2-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]carbonylamino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]carbonylamino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]amino]ethyl-diisopropyl-ammonium CAS Name: 2-[[[1-[(2-chlorophenyl)methyl]-4-pyrazolyl]-oxomethyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[[1-(2-chlorobenzyl)pyrazole-4-carbonyl]amino]ethyl-diisopropyl-ammonium Formula: C19H28ClN4O+ MolecularWeight: 363.90482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCNC(=O)C1=CN(N=C1)CC2=CC=CC=C2Cl)C(C)C

Isomeric SMILES

CC(C)[NH+](CCNC(=O)C1=CN(N=C1)CC2=CC=CC=C2Cl)C(C)C

InChI

InChI=1S/C19H27ClN4O/c1-14(2)24(15(3)4)10-9-21-19(25)17-11-22-23(13-17)12-16-7-5-6-8-18(16)20/h5-8,11,13-15H,9-10,12H2,1-4H3,(H,21,25)/p+1