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

Systemtic Name: ethyl 4-[[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]amino]-4-oxo-butanoate CAS Name: 4-[[(2S)-2-(4-dimethylaminophenyl)-2-(4-morpholin-4-iumyl)ethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-ylethyl]amino]-4-oxobutanoate Traditional Name: 4-[[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]amino]-4-keto-butyric acid ethyl ester Formula: C20H32N3O4+ MolecularWeight: 378.48578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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