2-(tert-butylamino)-1-(1H-indol-3-yl)ethanone hydrate hydrochloride

Systemtic Name: 2-(tert-butylamino)-1-(1H-indol-3-yl)ethanone hydrate hydrochloride Openeye Name: 2-(tert-butylamino)-1-(1H-indol-3-yl)ethanone hydrate hydrochloride CAS Name: 2-(tert-butylamino)-1-(1H-indol-3-yl)ethanone hydrate hydrochloride IUPAC Name: 2-(tert-butylamino)-1-(1H-indol-3-yl)ethanone hydrate hydrochloride Traditional Name: 2-(tert-butylamino)-1-(1H-indol-3-yl)ethanone hydrate hydrochloride Formula: C14H21ClN2O2 MolecularWeight: 284.78174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(=O)C1=CNC2=CC=CC=C21.O.Cl

Isomeric SMILES

CC(C)(C)NCC(=O)C1=CNC2=CC=CC=C21.O.Cl

InChI

InChI=1S/C14H18N2O.ClH.H2O/c1-14(2,3)16-9-13(17)11-8-15-12-7-5-4-6-10(11)12;;/h4-8,15-16H,9H2,1-3H3;1H;1H2