1,3-bis(1-methylazepan-1-ium-1-yl)propan-2-yl ethanoate

Systemtic Name: 1,3-bis(1-methylazepan-1-ium-1-yl)propan-2-yl ethanoate Openeye Name: [2-(1-methylazepan-1-ium-1-yl)-1-[(1-methylazepan-1-ium-1-yl)methyl]ethyl] acetate CAS Name: acetic acid 1,3-bis(1-methyl-1-azepan-1-iumyl)propan-2-yl ester IUPAC Name: 1,3-bis(1-methylazepan-1-ium-1-yl)propan-2-yl acetate Traditional Name: acetic acid [2-(1-methylazepan-1-ium-1-yl)-1-[(1-methylazepan-1-ium-1-yl)methyl]ethyl] ester Formula: C19H38N2O2+2 MolecularWeight: 326.51722

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C[N+]1(CCCCCC1)C)C[N+]2(CCCCCC2)C

Isomeric SMILES

CC(=O)OC(C[N+]1(CCCCCC1)C)C[N+]2(CCCCCC2)C

InChI

InChI=1S/C19H38N2O2/c1-18(22)23-19(16-20(2)12-8-4-5-9-13-20)17-21(3)14-10-6-7-11-15-21/h19H,4-17H2,1-3H3/q+2