bis(3-methylbutyl)-[(2S)-2-oxidanyl-3-(9-oxidanylideneacridin-10-yl)propyl]azanium

Systemtic Name: bis(3-methylbutyl)-[(2S)-2-oxidanyl-3-(9-oxidanylideneacridin-10-yl)propyl]azanium Openeye Name: [(2S)-2-hydroxy-3-(9-oxoacridin-10-yl)propyl]-diisopentyl-ammonium CAS Name: [(2S)-2-hydroxy-3-(9-oxo-10-acridinyl)propyl]-bis(3-methylbutyl)ammonium IUPAC Name: [(2S)-2-hydroxy-3-(9-oxoacridin-10-yl)propyl]-bis(3-methylbutyl)azanium Traditional Name: [(2S)-2-hydroxy-3-(9-ketoacridin-10-yl)propyl]-diisoamyl-ammonium Formula: C26H37N2O2+ MolecularWeight: 409.58418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH+](CCC(C)C)CC(CN1C2=CC=CC=C2C(=O)C3=CC=CC=C31)O

Isomeric SMILES

CC(C)CC[NH+](CCC(C)C)C[C@H](CN1C2=CC=CC=C2C(=O)C3=CC=CC=C31)O

InChI

InChI=1S/C26H36N2O2/c1-19(2)13-15-27(16-14-20(3)4)17-21(29)18-28-24-11-7-5-9-22(24)26(30)23-10-6-8-12-25(23)28/h5-12,19-21,29H,13-18H2,1-4H3/p+1/t21-/m1/s1