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

Systemtic Name: ethyl 4-[(3S)-3-(2-hydroxyethyl)-4-[(3-methoxyphenyl)methyl]piperazin-1-ium-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[(3S)-3-(2-hydroxyethyl)-4-[(3-methoxyphenyl)methyl]piperazin-1-ium-1-yl]piperidine-1-carboxylate CAS Name: 4-[(3S)-3-(2-hydroxyethyl)-4-[(3-methoxyphenyl)methyl]-1-piperazin-1-iumyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-3-(2-hydroxyethyl)-4-[(3-methoxyphenyl)methyl]piperazin-1-ium-1-yl]piperidine-1-carboxylate Traditional Name: 4-[(3S)-3-(2-hydroxyethyl)-4-m-anisyl-piperazin-1-ium-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C22H36N3O4+ MolecularWeight: 406.53894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)[NH+]2CCN(C(C2)CCO)CC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)N1CCC(CC1)[NH+]2CCN([C@H](C2)CCO)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C22H35N3O4/c1-3-29-22(27)23-10-7-19(8-11-23)25-13-12-24(20(17-25)9-14-26)16-18-5-4-6-21(15-18)28-2/h4-6,15,19-20,26H,3,7-14,16-17H2,1-2H3/p+1/t20-/m0/s1