[7-chloranyl-2-oxidanylidene-1-(2-phenoxyethyl)quinolin-3-yl]methyl-[(2S)-1-methoxypropan-2-yl]azanium

Systemtic Name: [7-chloranyl-2-oxidanylidene-1-(2-phenoxyethyl)quinolin-3-yl]methyl-[(2S)-1-methoxypropan-2-yl]azanium Openeye Name: [7-chloro-2-oxo-1-(2-phenoxyethyl)-3-quinolyl]methyl-[(1S)-2-methoxy-1-methyl-ethyl]ammonium CAS Name: [7-chloro-2-oxo-1-(2-phenoxyethyl)-3-quinolinyl]methyl-[(2S)-1-methoxypropan-2-yl]ammonium IUPAC Name: [7-chloro-2-oxo-1-(2-phenoxyethyl)quinolin-3-yl]methyl-[(2S)-1-methoxypropan-2-yl]azanium Traditional Name: [7-chloro-2-keto-1-(2-phenoxyethyl)-3-quinolyl]methyl-[(1S)-2-methoxy-1-methyl-ethyl]ammonium Formula: C22H26ClN2O3+ MolecularWeight: 401.90644

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)[NH2+]CC1=CC2=C(C=C(C=C2)Cl)N(C1=O)CCOC3=CC=CC=C3

Isomeric SMILES

C[C@@H](COC)[NH2+]CC1=CC2=C(C=C(C=C2)Cl)N(C1=O)CCOC3=CC=CC=C3

InChI

InChI=1S/C22H25ClN2O3/c1-16(15-27-2)24-14-18-12-17-8-9-19(23)13-21(17)25(22(18)26)10-11-28-20-6-4-3-5-7-20/h3-9,12-13,16,24H,10-11,14-15H2,1-2H3/p+1/t16-/m0/s1