diethyl-[2-[4-[(E)-2-methyl-4-piperidin-1-ium-1-yl-but-2-enyl]phenyl]carbonyloxyethyl]azanium dichloride

Systemtic Name: diethyl-[2-[4-[(E)-2-methyl-4-piperidin-1-ium-1-yl-but-2-enyl]phenyl]carbonyloxyethyl]azanium dichloride Openeye Name: diethyl-[2-[4-[(E)-2-methyl-4-piperidin-1-ium-1-yl-but-2-enyl]benzoyl]oxyethyl]ammonium dichloride CAS Name: diethyl-[2-[[4-[(E)-2-methyl-4-(1-piperidin-1-iumyl)but-2-enyl]phenyl]-oxomethoxy]ethyl]ammonium dichloride IUPAC Name: diethyl-[2-[4-[(E)-2-methyl-4-piperidin-1-ium-1-ylbut-2-enyl]benzoyl]oxyethyl]azanium dichloride Traditional Name: diethyl-[2-[4-[(E)-2-methyl-4-piperidin-1-ium-1-yl-but-2-enyl]benzoyl]oxyethyl]ammonium dichloride Formula: C23H38Cl2N2O2 MolecularWeight: 445.46602

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)CC(=CC[NH+]2CCCCC2)C.[Cl-].[Cl-]

Isomeric SMILES

CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)C/C(=C/C[NH+]2CCCCC2)/C.[Cl-].[Cl-]

InChI

InChI=1S/C23H36N2O2.2ClH/c1-4-24(5-2)17-18-27-23(26)22-11-9-21(10-12-22)19-20(3)13-16-25-14-7-6-8-15-25;;/h9-13H,4-8,14-19H2,1-3H3;2*1H/b20-13+;;