[1-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]methylazanium

Systemtic Name: [1-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]methylazanium Openeye Name: [1-[2-(2-methylanilino)-2-oxo-ethyl]piperidin-1-ium-4-yl]methylammonium CAS Name: [1-[2-(2-methylanilino)-2-oxoethyl]-4-piperidin-1-iumyl]methylammonium IUPAC Name: [1-[2-(2-methylanilino)-2-oxoethyl]piperidin-1-ium-4-yl]methylazanium Traditional Name: [1-[2-keto-2-(o-toluidino)ethyl]piperidin-1-ium-4-yl]methylammonium Formula: C15H25N3O+2 MolecularWeight: 263.3785

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C[NH+]2CCC(CC2)C[NH3+]

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C[NH+]2CCC(CC2)C[NH3+]

InChI

InChI=1S/C15H23N3O/c1-12-4-2-3-5-14(12)17-15(19)11-18-8-6-13(10-16)7-9-18/h2-5,13H,6-11,16H2,1H3,(H,17,19)/p+2