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

Systemtic Name: methyl-[(2S)-1-oxidanylidene-1-(quinolin-5-ylamino)propan-2-yl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[(1S)-1-methyl-2-oxo-2-(5-quinolylamino)ethyl]ammonium CAS Name: methyl-[(2S)-1-oxo-1-(5-quinolinylamino)propan-2-yl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[(2S)-1-oxo-1-(quinolin-5-ylamino)propan-2-yl]azanium Traditional Name: benzyl-[(1S)-2-keto-1-methyl-2-(5-quinolylamino)ethyl]-methyl-ammonium Formula: C20H22N3O+ MolecularWeight: 320.40818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=C1C=CC=N2)[NH+](C)CC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC2=C1C=CC=N2)[NH+](C)CC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O/c1-15(23(2)14-16-8-4-3-5-9-16)20(24)22-19-12-6-11-18-17(19)10-7-13-21-18/h3-13,15H,14H2,1-2H3,(H,22,24)/p+1/t15-/m0/s1