[(2S)-1-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-2-yl]methylazanium

Systemtic Name: [(2S)-1-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-2-yl]methylazanium Openeye Name: [(2S)-1-[2-(3-methylanilino)-2-oxo-ethyl]piperidin-1-ium-2-yl]methylammonium CAS Name: [(2S)-1-[2-(3-methylanilino)-2-oxoethyl]-2-piperidin-1-iumyl]methylammonium IUPAC Name: [(2S)-1-[2-(3-methylanilino)-2-oxoethyl]piperidin-1-ium-2-yl]methylazanium Traditional Name: [(2S)-1-[2-keto-2-(m-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=C1)NC(=O)C[NH+]2CCCCC2C[NH3+]

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C[NH+]2CCCC[C@H]2C[NH3+]

InChI

InChI=1S/C15H23N3O/c1-12-5-4-6-13(9-12)17-15(19)11-18-8-3-2-7-14(18)10-16/h4-6,9,14H,2-3,7-8,10-11,16H2,1H3,(H,17,19)/p+2/t14-/m0/s1