[3-[[3-[2-(azaniumylamino)-2-oxidanylidene-ethyl]-1H-indol-4-yl]oxy]-2-oxidanyl-propyl]-tert-butyl-azanium

Systemtic Name: [3-[[3-[2-(azaniumylamino)-2-oxidanylidene-ethyl]-1H-indol-4-yl]oxy]-2-oxidanyl-propyl]-tert-butyl-azanium Openeye Name: [3-[[3-[2-(azaniumylamino)-2-oxo-ethyl]-1H-indol-4-yl]oxy]-2-hydroxy-propyl]-tert-butyl-ammonium CAS Name: [3-[[3-[2-(ammonioamino)-2-oxoethyl]-1H-indol-4-yl]oxy]-2-hydroxypropyl]-tert-butylammonium IUPAC Name: [3-[[3-[2-(azaniumylamino)-2-oxoethyl]-1H-indol-4-yl]oxy]-2-hydroxypropyl]-tert-butylazanium Traditional Name: [3-[[3-[2-(ammonioamino)-2-keto-ethyl]-1H-indol-4-yl]oxy]-2-hydroxy-propyl]-tert-butyl-ammonium Formula: C17H28N4O3+2 MolecularWeight: 336.42922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CC(COC1=CC=CC2=C1C(=CN2)CC(=O)N[NH3+])O

Isomeric SMILES

CC(C)(C)[NH2+]CC(COC1=CC=CC2=C1C(=CN2)CC(=O)N[NH3+])O

InChI

InChI=1S/C17H26N4O3/c1-17(2,3)20-9-12(22)10-24-14-6-4-5-13-16(14)11(8-19-13)7-15(23)21-18/h4-6,8,12,19-20,22H,7,9-10,18H2,1-3H3,(H,21,23)/p+2