(5-chloranylthiophen-2-yl)methyl-methyl-[(2S)-1-oxidanylidene-1-(quinolin-5-ylamino)propan-2-yl]azanium

Systemtic Name: (5-chloranylthiophen-2-yl)methyl-methyl-[(2S)-1-oxidanylidene-1-(quinolin-5-ylamino)propan-2-yl]azanium Openeye Name: (5-chloro-2-thienyl)methyl-methyl-[(1S)-1-methyl-2-oxo-2-(5-quinolylamino)ethyl]ammonium CAS Name: (5-chloro-2-thiophenyl)methyl-methyl-[(2S)-1-oxo-1-(5-quinolinylamino)propan-2-yl]ammonium IUPAC Name: (5-chlorothiophen-2-yl)methyl-methyl-[(2S)-1-oxo-1-(quinolin-5-ylamino)propan-2-yl]azanium Traditional Name: (5-chloro-2-thienyl)methyl-[(1S)-2-keto-1-methyl-2-(5-quinolylamino)ethyl]-methyl-ammonium Formula: C18H19ClN3OS+ MolecularWeight: 360.88096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=C1C=CC=N2)[NH+](C)CC3=CC=C(S3)Cl

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC2=C1C=CC=N2)[NH+](C)CC3=CC=C(S3)Cl

InChI

InChI=1S/C18H18ClN3OS/c1-12(22(2)11-13-8-9-17(19)24-13)18(23)21-16-7-3-6-15-14(16)5-4-10-20-15/h3-10,12H,11H2,1-2H3,(H,21,23)/p+1/t12-/m0/s1