(3-methylphenyl)methyl-[3-(4-methylpiperidin-1-ium-1-yl)-2-oxidanylidene-propyl]azanium

Systemtic Name: (3-methylphenyl)methyl-[3-(4-methylpiperidin-1-ium-1-yl)-2-oxidanylidene-propyl]azanium Openeye Name: [3-(4-methylpiperidin-1-ium-1-yl)-2-oxo-propyl]-(m-tolylmethyl)ammonium CAS Name: (3-methylphenyl)methyl-[3-(4-methyl-1-piperidin-1-iumyl)-2-oxopropyl]ammonium IUPAC Name: (3-methylphenyl)methyl-[3-(4-methylpiperidin-1-ium-1-yl)-2-oxopropyl]azanium Traditional Name: [2-keto-3-(4-methylpiperidin-1-ium-1-yl)propyl]-(3-methylbenzyl)ammonium Formula: C17H28N2O+2 MolecularWeight: 276.41702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(=O)C[NH2+]CC2=CC=CC(=C2)C

Isomeric SMILES

CC1CC[NH+](CC1)CC(=O)C[NH2+]CC2=CC=CC(=C2)C

InChI

InChI=1S/C17H26N2O/c1-14-6-8-19(9-7-14)13-17(20)12-18-11-16-5-3-4-15(2)10-16/h3-5,10,14,18H,6-9,11-13H2,1-2H3/p+2