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

Systemtic Name: ethyl 4-(2-phenoxyethyl)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-(2-phenoxyethyl)-1-[(2-pyrrolidin-1-ylthiazol-5-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 4-(2-phenoxyethyl)-1-[[2-(1-pyrrolidinyl)-5-thiazolyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-phenoxyethyl)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 4-(2-phenoxyethyl)-1-[(2-pyrrolidinothiazol-5-yl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C24H34N3O3S+ MolecularWeight: 444.61006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CN=C(S2)N3CCCC3)CCOC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CN=C(S2)N3CCCC3)CCOC4=CC=CC=C4

InChI

InChI=1S/C24H33N3O3S/c1-2-29-22(28)24(12-17-30-20-8-4-3-5-9-20)10-15-26(16-11-24)19-21-18-25-23(31-21)27-13-6-7-14-27/h3-5,8-9,18H,2,6-7,10-17,19H2,1H3/p+1