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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C[NH+]2CCCCC2C[NH3+]

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C[NH+]2CCCC[C@H]2C[NH3+]

InChI

InChI=1S/C15H23N3O/c1-12-6-2-3-8-14(12)17-15(19)11-18-9-5-4-7-13(18)10-16/h2-3,6,8,13H,4-5,7,9-11,16H2,1H3,(H,17,19)/p+2/t13-/m0/s1