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

Systemtic Name: [2-[[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]amino]-2-oxidanylidene-ethyl] 2-methylpropanoate Openeye Name: [2-[[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]amino]-2-oxo-ethyl] 2-methylpropanoate CAS Name: 2-methylpropanoic 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] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [2-[[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]amino]-2-keto-ethyl] ester Formula: C20H32N3O4+ MolecularWeight: 378.48578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O4/c1-15(2)20(25)27-14-19(24)21-13-18(23-9-11-26-12-10-23)16-5-7-17(8-6-16)22(3)4/h5-8,15,18H,9-14H2,1-4H3,(H,21,24)/p+1/t18-/m1/s1