ethyl 4-[(3S)-3-(2-hydroxyethyl)-4-[(6-methylpyridin-2-yl)methyl]piperazin-1-ium-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-3-(2-hydroxyethyl)-4-[(6-methylpyridin-2-yl)methyl]piperazin-1-ium-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[(3S)-3-(2-hydroxyethyl)-4-[(6-methyl-2-pyridyl)methyl]piperazin-1-ium-1-yl]piperidine-1-carboxylate CAS Name: 4-[(3S)-3-(2-hydroxyethyl)-4-[(6-methyl-2-pyridinyl)methyl]-1-piperazin-1-iumyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-3-(2-hydroxyethyl)-4-[(6-methylpyridin-2-yl)methyl]piperazin-1-ium-1-yl]piperidine-1-carboxylate Traditional Name: 4-[(3S)-3-(2-hydroxyethyl)-4-[(6-methyl-2-pyridyl)methyl]piperazin-1-ium-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C21H35N4O3+ MolecularWeight: 391.5276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)[NH+]2CCN(C(C2)CCO)CC3=CC=CC(=N3)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)[NH+]2CCN([C@H](C2)CCO)CC3=CC=CC(=N3)C

InChI

InChI=1S/C21H34N4O3/c1-3-28-21(27)23-10-7-19(8-11-23)25-13-12-24(20(16-25)9-14-26)15-18-6-4-5-17(2)22-18/h4-6,19-20,26H,3,7-16H2,1-2H3/p+1/t20-/m0/s1