4-[oxidanyl-(1-phenylmethoxycarbonylpyrrolidin-1-ium-1-yl)methoxy]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[oxidanyl-(1-phenylmethoxycarbonylpyrrolidin-1-ium-1-yl)methoxy]cyclohexane-1-carboxylic acid Openeye Name: 4-[(1-benzyloxycarbonylpyrrolidin-1-ium-1-yl)-hydroxy-methoxy]cyclohexanecarboxylic acid CAS Name: 4-[hydroxy-(1-phenylmethoxycarbonyl-1-pyrrolidin-1-iumyl)methoxy]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[hydroxy-(1-phenylmethoxycarbonylpyrrolidin-1-ium-1-yl)methoxy]cyclohexane-1-carboxylic acid Traditional Name: 4-[(1-carbobenzoxypyrrolidin-1-ium-1-yl)-hydroxy-methoxy]cyclohexanecarboxylic acid Formula: C20H28NO6+ MolecularWeight: 378.43942

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C1)(C(O)OC2CCC(CC2)C(=O)O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CC[N+](C1)(C(O)OC2CCC(CC2)C(=O)O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H27NO6/c22-18(23)16-8-10-17(11-9-16)27-20(25)21(12-4-5-13-21)19(24)26-14-15-6-2-1-3-7-15/h1-3,6-7,16-17,20,25H,4-5,8-14H2/p+1