[(2S)-1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl]-[(7-chloranyl-2-phenethyloxy-quinolin-3-yl)methyl]azanium

Systemtic Name: [(2S)-1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl]-[(7-chloranyl-2-phenethyloxy-quinolin-3-yl)methyl]azanium Openeye Name: [(1S)-1-carbamoyl-2-methyl-propyl]-[(7-chloro-2-phenethyloxy-3-quinolyl)methyl]ammonium CAS Name: [(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-[(7-chloro-2-phenethyloxy-3-quinolinyl)methyl]ammonium IUPAC Name: [(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-[(7-chloro-2-phenethyloxyquinolin-3-yl)methyl]azanium Traditional Name: [(1S)-1-carbamoyl-2-methyl-propyl]-[(7-chloro-2-phenethyloxy-3-quinolyl)methyl]ammonium Formula: C23H27ClN3O2+ MolecularWeight: 412.93238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N)[NH2+]CC1=C(N=C2C=C(C=CC2=C1)Cl)OCCC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)N)[NH2+]CC1=C(N=C2C=C(C=CC2=C1)Cl)OCCC3=CC=CC=C3

InChI

InChI=1S/C23H26ClN3O2/c1-15(2)21(22(25)28)26-14-18-12-17-8-9-19(24)13-20(17)27-23(18)29-11-10-16-6-4-3-5-7-16/h3-9,12-13,15,21,26H,10-11,14H2,1-2H3,(H2,25,28)/p+1/t21-/m0/s1