[2-[[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]amino]-2-oxidanylidene-ethyl] ethanoate

Systemtic Name: [2-[[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]amino]-2-oxidanylidene-ethyl] ethanoate Openeye Name: [2-[[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]amino]-2-oxo-ethyl] acetate CAS Name: acetic acid [2-[[(2S)-2-(4-dimethylaminophenyl)-2-(4-morpholin-4-iumyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-ylethyl]amino]-2-oxoethyl] acetate Traditional Name: acetic acid [2-[[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]amino]-2-keto-ethyl] ester Formula: C18H28N3O4+ MolecularWeight: 350.43262

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(=O)NCC(C1=CC=C(C=C1)N(C)C)[NH+]2CCOCC2

Isomeric SMILES

CC(=O)OCC(=O)NC[C@H](C1=CC=C(C=C1)N(C)C)[NH+]2CCOCC2

InChI

InChI=1S/C18H27N3O4/c1-14(22)25-13-18(23)19-12-17(21-8-10-24-11-9-21)15-4-6-16(7-5-15)20(2)3/h4-7,17H,8-13H2,1-3H3,(H,19,23)/p+1/t17-/m1/s1