[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate Openeye Name: [2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate CAS Name: (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid [2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate Traditional Name: (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid [2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl] ester Formula: C29H35N4O3+ MolecularWeight: 487.6132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

CC(C)(C)[C@H]1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C29H34N4O3/c1-29(2,3)20-11-12-24-22(18-20)27(21-8-4-5-9-23(21)31-24)28(35)36-19-26(34)33-16-14-32(15-17-33)25-10-6-7-13-30-25/h4-10,13,20H,11-12,14-19H2,1-3H3/p+1/t20-/m0/s1