ethyl 4-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[(2R)-2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidino]-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C21H32N3O5+ MolecularWeight: 406.49588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)N2CCCC2C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)N2CCC[C@@H]2C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C21H31N3O5/c1-4-29-21(26)23-12-10-22(11-13-23)15-20(25)24-9-5-6-18(24)17-14-16(27-2)7-8-19(17)28-3/h7-8,14,18H,4-6,9-13,15H2,1-3H3/p+1/t18-/m1/s1