1-(4-methylpiperazin-1-ium-1-yl)propan-2-yl 3,4,5-trimethoxybenzoate

Systemtic Name: 1-(4-methylpiperazin-1-ium-1-yl)propan-2-yl 3,4,5-trimethoxybenzoate Openeye Name: [1-methyl-2-(4-methylpiperazin-1-ium-1-yl)ethyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid 1-(4-methyl-1-piperazin-1-iumyl)propan-2-yl ester IUPAC Name: 1-(4-methylpiperazin-1-ium-1-yl)propan-2-yl 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [1-methyl-2-(4-methylpiperazin-1-ium-1-yl)ethyl] ester Formula: C18H29N2O5+ MolecularWeight: 353.43326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCN(CC1)C)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CC(C[NH+]1CCN(CC1)C)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C18H28N2O5/c1-13(12-20-8-6-19(2)7-9-20)25-18(21)14-10-15(22-3)17(24-5)16(11-14)23-4/h10-11,13H,6-9,12H2,1-5H3/p+1