ethyl 4-[[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-4-oxo-butanoate CAS Name: 4-[[(2S)-2-(4-dimethylaminophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-4-oxobutanoate Traditional Name: 4-[[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-4-keto-butyric acid ethyl ester Formula: C20H32N3O3+ MolecularWeight: 362.48638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NCC(C1=CC=C(C=C1)N(C)C)[NH+]2CCCC2

Isomeric SMILES

CCOC(=O)CCC(=O)NC[C@H](C1=CC=C(C=C1)N(C)C)[NH+]2CCCC2

InChI

InChI=1S/C20H31N3O3/c1-4-26-20(25)12-11-19(24)21-15-18(23-13-5-6-14-23)16-7-9-17(10-8-16)22(2)3/h7-10,18H,4-6,11-15H2,1-3H3,(H,21,24)/p+1/t18-/m1/s1