[2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl]-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium

Systemtic Name: [2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl]-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium Openeye Name: [2-[(2-chloro-3-pyridyl)amino]-2-oxo-ethyl]-cyclopropyl-[(4-isopropylphenyl)methyl]ammonium CAS Name: [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-cyclopropyl-[(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: [2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl]-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium Traditional Name: [2-[(2-chloro-3-pyridyl)amino]-2-keto-ethyl]-cyclopropyl-(4-isopropylbenzyl)ammonium Formula: C20H25ClN3O+ MolecularWeight: 358.885

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+](CC(=O)NC2=C(N=CC=C2)Cl)C3CC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+](CC(=O)NC2=C(N=CC=C2)Cl)C3CC3

InChI

InChI=1S/C20H24ClN3O/c1-14(2)16-7-5-15(6-8-16)12-24(17-9-10-17)13-19(25)23-18-4-3-11-22-20(18)21/h3-8,11,14,17H,9-10,12-13H2,1-2H3,(H,23,25)/p+1