[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethyl-[2-oxidanylidene-2-(quinolin-5-ylamino)ethyl]azanium

Systemtic Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethyl-[2-oxidanylidene-2-(quinolin-5-ylamino)ethyl]azanium Openeye Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethyl-[2-oxo-2-(5-quinolylamino)ethyl]ammonium CAS Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethyl-[2-oxo-2-(5-quinolinylamino)ethyl]ammonium IUPAC Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethyl-[2-oxo-2-(quinolin-5-ylamino)ethyl]azanium Traditional Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethyl-[2-keto-2-(5-quinolylamino)ethyl]ammonium Formula: C22H24N3O3+ MolecularWeight: 378.44426

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1COC2=CC=CC=C2O1)CC(=O)NC3=CC=CC4=C3C=CC=N4

Isomeric SMILES

CC[NH+](C[C@H]1COC2=CC=CC=C2O1)CC(=O)NC3=CC=CC4=C3C=CC=N4

InChI

InChI=1S/C22H23N3O3/c1-2-25(13-16-15-27-20-10-3-4-11-21(20)28-16)14-22(26)24-19-9-5-8-18-17(19)7-6-12-23-18/h3-12,16H,2,13-15H2,1H3,(H,24,26)/p+1/t16-/m0/s1