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

Systemtic Name: 1,3-di(piperidin-1-ium-1-yl)propan-2-yl benzoate Openeye Name: [2-piperidin-1-ium-1-yl-1-(piperidin-1-ium-1-ylmethyl)ethyl] benzoate CAS Name: benzoic acid 1,3-bis(1-piperidin-1-iumyl)propan-2-yl ester IUPAC Name: 1,3-di(piperidin-1-ium-1-yl)propan-2-yl benzoate Traditional Name: benzoic acid [2-piperidin-1-ium-1-yl-1-(piperidin-1-ium-1-ylmethyl)ethyl] ester Formula: C20H32N2O2+2 MolecularWeight: 332.48028

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(C[NH+]2CCCCC2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](CC1)CC(C[NH+]2CCCCC2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H30N2O2/c23-20(18-10-4-1-5-11-18)24-19(16-21-12-6-2-7-13-21)17-22-14-8-3-9-15-22/h1,4-5,10-11,19H,2-3,6-9,12-17H2/p+2