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

Systemtic Name: [2-[[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-2-oxidanylidene-ethyl] ethanoate Openeye Name: [2-[[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-2-oxo-ethyl] acetate CAS Name: acetic 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] acetate Traditional Name: acetic acid [2-[[(2S)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-2-keto-ethyl] ester Formula: C18H28N3O3+ MolecularWeight: 334.43322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O3/c1-14(22)24-13-18(23)19-12-17(21-10-4-5-11-21)15-6-8-16(9-7-15)20(2)3/h6-9,17H,4-5,10-13H2,1-3H3,(H,19,23)/p+1/t17-/m1/s1