[2-(phenylcarbamoyloxy)-3-piperidin-1-ium-1-yl-propyl] N-(2,6-dimethylphenyl)carbamate chloride

Systemtic Name: [2-(phenylcarbamoyloxy)-3-piperidin-1-ium-1-yl-propyl] N-(2,6-dimethylphenyl)carbamate chloride Openeye Name: [2-(phenylcarbamoyloxy)-3-piperidin-1-ium-1-yl-propyl] N-(2,6-dimethylphenyl)carbamate chloride CAS Name: N-(2,6-dimethylphenyl)carbamic acid [2-[anilino(oxo)methoxy]-3-(1-piperidin-1-iumyl)propyl] ester chloride IUPAC Name: [2-(phenylcarbamoyloxy)-3-piperidin-1-ium-1-ylpropyl] N-(2,6-dimethylphenyl)carbamate chloride Traditional Name: N-(2,6-dimethylphenyl)carbamic acid [2-(phenylcarbamoyloxy)-3-piperidin-1-ium-1-yl-propyl] ester chloride Formula: C24H32ClN3O4 MolecularWeight: 461.98158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)OCC(C[NH+]2CCCCC2)OC(=O)NC3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)OCC(C[NH+]2CCCCC2)OC(=O)NC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C24H31N3O4.ClH/c1-18-10-9-11-19(2)22(18)26-23(28)30-17-21(16-27-14-7-4-8-15-27)31-24(29)25-20-12-5-3-6-13-20;/h3,5-6,9-13,21H,4,7-8,14-17H2,1-2H3,(H,25,29)(H,26,28);1H