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

Systemtic Name: diethyl-[2-[(3-pentoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-yl-propyl]azanium dichloride Openeye Name: diethyl-[2-[(3-pentoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-yl-propyl]ammonium dichloride CAS Name: diethyl-[2-[oxo-(3-pentoxyanilino)methoxy]-3-(1-pyrrolidin-1-iumyl)propyl]ammonium dichloride IUPAC Name: diethyl-[2-[(3-pentoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-ylpropyl]azanium dichloride Traditional Name: [2-[(3-amoxyphenyl)carbamoyloxy]-3-pyrrolidin-1-ium-1-yl-propyl]-diethyl-ammonium dichloride Formula: C23H41Cl2N3O3 MolecularWeight: 478.49594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC(=C1)NC(=O)OC(C[NH+]2CCCC2)C[NH+](CC)CC.[Cl-].[Cl-]

Isomeric SMILES

CCCCCOC1=CC=CC(=C1)NC(=O)OC(C[NH+]2CCCC2)C[NH+](CC)CC.[Cl-].[Cl-]

InChI

InChI=1S/C23H39N3O3.2ClH/c1-4-7-10-16-28-21-13-11-12-20(17-21)24-23(27)29-22(18-25(5-2)6-3)19-26-14-8-9-15-26;;/h11-13,17,22H,4-10,14-16,18-19H2,1-3H3,(H,24,27);2*1H