ethyl (3S)-1-[(4-chloranyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(4-chloranyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(4-chloro-2-pyrrolidin-1-yl-thiazol-5-yl)methyl]-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[[4-chloro-2-(1-pyrrolidinyl)-5-thiazolyl]methyl]-3-(2-methoxyethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(4-chloro-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(4-chloro-2-pyrrolidino-thiazol-5-yl)methyl]-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C19H31ClN3O3S+ MolecularWeight: 416.98574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)CC2=C(N=C(S2)N3CCCC3)Cl)CCOC

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)CC2=C(N=C(S2)N3CCCC3)Cl)CCOC

InChI

InChI=1S/C19H30ClN3O3S/c1-3-26-17(24)19(8-12-25-2)7-6-9-22(14-19)13-15-16(20)21-18(27-15)23-10-4-5-11-23/h3-14H2,1-2H3/p+1/t19-/m0/s1