1,3-di(morpholin-4-ium-4-yl)propan-2-yl benzoate

Systemtic Name: 1,3-di(morpholin-4-ium-4-yl)propan-2-yl benzoate Openeye Name: [2-morpholin-4-ium-4-yl-1-(morpholin-4-ium-4-ylmethyl)ethyl] benzoate CAS Name: benzoic acid 1,3-bis(4-morpholin-4-iumyl)propan-2-yl ester IUPAC Name: 1,3-di(morpholin-4-ium-4-yl)propan-2-yl benzoate Traditional Name: benzoic acid [2-morpholin-4-ium-4-yl-1-(morpholin-4-ium-4-ylmethyl)ethyl] ester Formula: C18H28N2O4+2 MolecularWeight: 336.42592

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(C[NH+]2CCOCC2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

C1COCC[NH+]1CC(C[NH+]2CCOCC2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H26N2O4/c21-18(16-4-2-1-3-5-16)24-17(14-19-6-10-22-11-7-19)15-20-8-12-23-13-9-20/h1-5,17H,6-15H2/p+2