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

Systemtic Name: [2-[[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-2-oxidanylidene-ethyl] 2,2-dimethylpropanoate Openeye Name: [2-[[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-2-oxo-ethyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2-[[(2S)-2-(4-dimethylaminophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-2-oxoethyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [2-[[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-2-keto-ethyl] ester Formula: C21H34N3O3+ MolecularWeight: 376.51296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O3/c1-21(2,3)20(26)27-15-19(25)22-14-18(24-12-6-7-13-24)16-8-10-17(11-9-16)23(4)5/h8-11,18H,6-7,12-15H2,1-5H3,(H,22,25)/p+1/t18-/m1/s1