ethyl 4-[(3S)-3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]piperidin-1-ium-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]piperidin-1-ium-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[(3S)-3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]piperidin-1-ium-1-yl]piperidine-1-carboxylate CAS Name: 4-[(3S)-3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1-piperidin-1-iumyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]piperidin-1-ium-1-yl]piperidine-1-carboxylate Traditional Name: 4-[(3S)-3-[homoveratryl(methyl)amino]piperidin-1-ium-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C24H40N3O4+ MolecularWeight: 434.5921

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)[NH+]2CCCC(C2)N(C)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCOC(=O)N1CCC(CC1)[NH+]2CCC[C@@H](C2)N(C)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C24H39N3O4/c1-5-31-24(28)26-15-11-20(12-16-26)27-13-6-7-21(18-27)25(2)14-10-19-8-9-22(29-3)23(17-19)30-4/h8-9,17,20-21H,5-7,10-16,18H2,1-4H3/p+1/t21-/m0/s1