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

Systemtic Name: [(2S)-1-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-2-yl]methylazanium Openeye Name: [(2S)-1-[2-(4-methoxyanilino)-2-oxo-ethyl]piperidin-1-ium-2-yl]methylammonium CAS Name: [(2S)-1-[2-(4-methoxyanilino)-2-oxoethyl]-2-piperidin-1-iumyl]methylammonium IUPAC Name: [(2S)-1-[2-(4-methoxyanilino)-2-oxoethyl]piperidin-1-ium-2-yl]methylazanium Traditional Name: [(2S)-1-[2-keto-2-(p-anisidino)ethyl]piperidin-1-ium-2-yl]methylammonium Formula: C15H25N3O2+2 MolecularWeight: 279.3779

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C[NH+]2CCCCC2C[NH3+]

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C[NH+]2CCCC[C@H]2C[NH3+]

InChI

InChI=1S/C15H23N3O2/c1-20-14-7-5-12(6-8-14)17-15(19)11-18-9-3-2-4-13(18)10-16/h5-8,13H,2-4,9-11,16H2,1H3,(H,17,19)/p+2/t13-/m0/s1