cyclohexyl-methyl-[[2-[(6-methylpyridin-3-yl)carbonylamino]phenyl]methyl]azanium

Systemtic Name: cyclohexyl-methyl-[[2-[(6-methylpyridin-3-yl)carbonylamino]phenyl]methyl]azanium Openeye Name: cyclohexyl-methyl-[[2-[(6-methylpyridine-3-carbonyl)amino]phenyl]methyl]ammonium CAS Name: cyclohexyl-methyl-[[2-[[(6-methyl-3-pyridinyl)-oxomethyl]amino]phenyl]methyl]ammonium IUPAC Name: cyclohexyl-methyl-[[2-[(6-methylpyridine-3-carbonyl)amino]phenyl]methyl]azanium Traditional Name: cyclohexyl-methyl-[2-[(6-methylnicotinoyl)amino]benzyl]ammonium Formula: C21H28N3O+ MolecularWeight: 338.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C(=O)NC2=CC=CC=C2C[NH+](C)C3CCCCC3

Isomeric SMILES

CC1=NC=C(C=C1)C(=O)NC2=CC=CC=C2C[NH+](C)C3CCCCC3

InChI

InChI=1S/C21H27N3O/c1-16-12-13-17(14-22-16)21(25)23-20-11-7-6-8-18(20)15-24(2)19-9-4-3-5-10-19/h6-8,11-14,19H,3-5,9-10,15H2,1-2H3,(H,23,25)/p+1