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

Systemtic Name: [2-[(2-butoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-yl-propyl]-diethyl-azanium dichloride Openeye Name: [2-[(2-butoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-yl-propyl]-diethyl-ammonium dichloride CAS Name: [2-[(2-butoxyanilino)-oxomethoxy]-3-(1-pyrrolidin-1-iumyl)propyl]-diethylammonium dichloride IUPAC Name: [2-[(2-butoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-ylpropyl]-diethylazanium dichloride Traditional Name: [2-[(2-butoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-yl-propyl]-diethyl-ammonium dichloride Formula: C22H39Cl2N3O3 MolecularWeight: 464.46936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1NC(=O)OC(C[NH+]2CCCC2)C[NH+](CC)CC.[Cl-].[Cl-]

Isomeric SMILES

CCCCOC1=CC=CC=C1NC(=O)OC(C[NH+]2CCCC2)C[NH+](CC)CC.[Cl-].[Cl-]

InChI

InChI=1S/C22H37N3O3.2ClH/c1-4-7-16-27-21-13-9-8-12-20(21)23-22(26)28-19(17-24(5-2)6-3)18-25-14-10-11-15-25;;/h8-9,12-13,19H,4-7,10-11,14-18H2,1-3H3,(H,23,26);2*1H