2-(dimethylamino)-1-(1-ethyl-1-oxidanidyl-indol-1-ium-3-yl)ethanol hydrate

Systemtic Name: 2-(dimethylamino)-1-(1-ethyl-1-oxidanidyl-indol-1-ium-3-yl)ethanol hydrate Openeye Name: 2-(dimethylamino)-1-(1-ethyl-1-oxido-indol-1-ium-3-yl)ethanol hydrate CAS Name: 2-(dimethylamino)-1-(1-ethyl-1-oxido-3-indol-1-iumyl)ethanol hydrate IUPAC Name: 2-(dimethylamino)-1-(1-ethyl-1-oxidoindol-1-ium-3-yl)ethanol hydrate Traditional Name: 2-(dimethylamino)-1-(1-ethyl-1-oxido-indol-1-ium-3-yl)ethanol hydrate Formula: C14H22N2O3 MolecularWeight: 266.33608

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C=C(C2=CC=CC=C21)C(CN(C)C)O)[O-].O

Isomeric SMILES

CC[N+]1(C=C(C2=CC=CC=C21)C(CN(C)C)O)[O-].O

InChI

InChI=1S/C14H20N2O2.H2O/c1-4-16(18)10-12(14(17)9-15(2)3)11-7-5-6-8-13(11)16;/h5-8,10,14,17H,4,9H2,1-3H3;1H2