2-[[1-[(2-chlorophenyl)methyl]-6-oxidanylidene-pyridin-3-yl]carbonylamino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[[1-[(2-chlorophenyl)methyl]-6-oxidanylidene-pyridin-3-yl]carbonylamino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[[1-[(2-chlorophenyl)methyl]-6-oxo-pyridine-3-carbonyl]amino]ethyl-diisopropyl-ammonium CAS Name: 2-[[[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-oxomethyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[[1-(2-chlorobenzyl)-6-keto-nicotinoyl]amino]ethyl-diisopropyl-ammonium Formula: C21H29ClN3O2+ MolecularWeight: 390.92686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28ClN3O2/c1-15(2)25(16(3)4)12-11-23-21(27)18-9-10-20(26)24(14-18)13-17-7-5-6-8-19(17)22/h5-10,14-16H,11-13H2,1-4H3,(H,23,27)/p+1