2-hydroxyethyl-methyl-di(propan-2-yl)azanium; 9H-xanthene-9-carboxylate

Systemtic Name: 2-hydroxyethyl-methyl-di(propan-2-yl)azanium; 9H-xanthene-9-carboxylate Openeye Name: 2-hydroxyethyl-diisopropyl-methyl-ammonium; 9H-xanthene-9-carboxylate CAS Name: 2-hydroxyethyl-methyl-di(propan-2-yl)ammonium; 9H-xanthene-9-carboxylate IUPAC Name: 2-hydroxyethyl-methyl-di(propan-2-yl)azanium; 9H-xanthene-9-carboxylate Traditional Name: 2-hydroxyethyl-diisopropyl-methyl-ammonium; 9H-xanthene-9-carboxylate Formula: C23H31NO4 MolecularWeight: 385.49654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+](C)(CCO)C(C)C.C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)[O-]

Isomeric SMILES

CC(C)[N+](C)(CCO)C(C)C.C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)[O-]

InChI

InChI=1S/C14H10O3.C9H22NO/c15-14(16)13-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)13;1-8(2)10(5,6-7-11)9(3)4/h1-8,13H,(H,15,16);8-9,11H,6-7H2,1-5H3/q;+1/p-1