butanedioic acid; [2,6-dimethoxy-4-[(8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)methyl]phenyl] ethanoate; dichloride

Systemtic Name: butanedioic acid; [2,6-dimethoxy-4-[(8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)methyl]phenyl] ethanoate; dichloride Openeye Name: [2,6-dimethoxy-4-[(8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)methyl]phenyl] acetate; succinic acid; dichloride CAS Name: acetic acid [2,6-dimethoxy-4-[(8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)methyl]phenyl] ester; butanedioic acid; dichloride IUPAC Name: butanedioic acid; [2,6-dimethoxy-4-[(8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)methyl]phenyl] acetate; dichloride Traditional Name: acetic acid [2,6-dimethoxy-4-[(8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)methyl]phenyl] ester; succinic acid; dichloride Formula: C42H62Cl2N2O12 MolecularWeight: 857.85388

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1OC)C[N+]2(C3CCCC2CC3)C)OC.CC(=O)OC1=C(C=C(C=C1OC)C[N+]2(C3CCCC2CC3)C)OC.C(CC(=O)O)C(=O)O.[Cl-].[Cl-]

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1OC)C[N+]2(C3CCCC2CC3)C)OC.CC(=O)OC1=C(C=C(C=C1OC)C[N+]2(C3CCCC2CC3)C)OC.C(CC(=O)O)C(=O)O.[Cl-].[Cl-]

InChI

InChI=1S/2C19H28NO4.C4H6O4.2ClH/c2*1-13(21)24-19-17(22-3)10-14(11-18(19)23-4)12-20(2)15-6-5-7-16(20)9-8-15;5-3(6)1-2-4(7)8;;/h2*10-11,15-16H,5-9,12H2,1-4H3;1-2H2,(H,5,6)(H,7,8);2*1H/q2*+1;;;/p-2