diethyl-[2-[(3-hexoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-yl-propyl]azanium dichloride

Systemtic Name: diethyl-[2-[(3-hexoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-yl-propyl]azanium dichloride Openeye Name: diethyl-[2-[(3-hexoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-yl-propyl]ammonium dichloride CAS Name: diethyl-[2-[(3-hexoxyanilino)-oxomethoxy]-3-(1-pyrrolidin-1-iumyl)propyl]ammonium dichloride IUPAC Name: diethyl-[2-[(3-hexoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-ylpropyl]azanium dichloride Traditional Name: diethyl-[2-[(3-hexoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-yl-propyl]ammonium dichloride Formula: C24H43Cl2N3O3 MolecularWeight: 492.52252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC(=C1)NC(=O)OC(C[NH+]2CCCC2)C[NH+](CC)CC.[Cl-].[Cl-]

Isomeric SMILES

CCCCCCOC1=CC=CC(=C1)NC(=O)OC(C[NH+]2CCCC2)C[NH+](CC)CC.[Cl-].[Cl-]

InChI

InChI=1S/C24H41N3O3.2ClH/c1-4-7-8-11-17-29-22-14-12-13-21(18-22)25-24(28)30-23(19-26(5-2)6-3)20-27-15-9-10-16-27;;/h12-14,18,23H,4-11,15-17,19-20H2,1-3H3,(H,25,28);2*1H