dimethyl-[(1S)-1-(3-methylphenyl)-2-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-1-(3-methylphenyl)-2-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]-2-oxidanylidene-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[(2-morpholinopyridin-1-ium-3-yl)methylamino]-1-(m-tolyl)-2-oxo-ethyl]ammonium CAS Name: dimethyl-[(1S)-1-(3-methylphenyl)-2-[[2-(4-morpholinyl)-3-pyridin-1-iumyl]methylamino]-2-oxoethyl]ammonium IUPAC Name: dimethyl-[(1S)-1-(3-methylphenyl)-2-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]-2-oxoethyl]azanium Traditional Name: [(1S)-2-keto-2-[(2-morpholinopyridin-1-ium-3-yl)methylamino]-1-(m-tolyl)ethyl]-dimethyl-ammonium Formula: C21H30N4O2+2 MolecularWeight: 370.4885

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C(=O)NCC2=C([NH+]=CC=C2)N3CCOCC3)[NH+](C)C

Isomeric SMILES

CC1=CC(=CC=C1)[C@@H](C(=O)NCC2=C([NH+]=CC=C2)N3CCOCC3)[NH+](C)C

InChI

InChI=1S/C21H28N4O2/c1-16-6-4-7-17(14-16)19(24(2)3)21(26)23-15-18-8-5-9-22-20(18)25-10-12-27-13-11-25/h4-9,14,19H,10-13,15H2,1-3H3,(H,23,26)/p+2/t19-/m0/s1