ethyl 1-(1,3-benzothiazol-2-ylmethyl)-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-(1,3-benzothiazol-2-ylmethyl)-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-(1,3-benzothiazol-2-ylmethyl)-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate CAS Name: 1-(1,3-benzothiazol-2-ylmethyl)-4-(2-phenoxyethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1,3-benzothiazol-2-ylmethyl)-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-(1,3-benzothiazol-2-ylmethyl)-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C24H29N2O3S+ MolecularWeight: 425.56366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=NC3=CC=CC=C3S2)CCOC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=NC3=CC=CC=C3S2)CCOC4=CC=CC=C4

InChI

InChI=1S/C24H28N2O3S/c1-2-28-23(27)24(14-17-29-19-8-4-3-5-9-19)12-15-26(16-13-24)18-22-25-20-10-6-7-11-21(20)30-22/h3-11H,2,12-18H2,1H3/p+1