[(1S)-1-[2-oxidanylidene-3-(piperidin-1-ium-1-ylmethyl)-1H-quinolin-6-yl]ethyl]azanium

Systemtic Name: [(1S)-1-[2-oxidanylidene-3-(piperidin-1-ium-1-ylmethyl)-1H-quinolin-6-yl]ethyl]azanium Openeye Name: [(1S)-1-[2-oxo-3-(piperidin-1-ium-1-ylmethyl)-1H-quinolin-6-yl]ethyl]ammonium CAS Name: [(1S)-1-[2-oxo-3-(1-piperidin-1-iumylmethyl)-1H-quinolin-6-yl]ethyl]ammonium IUPAC Name: [(1S)-1-[2-oxo-3-(piperidin-1-ium-1-ylmethyl)-1H-quinolin-6-yl]ethyl]azanium Traditional Name: [(1S)-1-[2-keto-3-(piperidin-1-ium-1-ylmethyl)-1H-quinolin-6-yl]ethyl]ammonium Formula: C17H25N3O+2 MolecularWeight: 287.3999

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)NC(=O)C(=C2)C[NH+]3CCCCC3)[NH3+]

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)NC(=O)C(=C2)C[NH+]3CCCCC3)[NH3+]

InChI

InChI=1S/C17H23N3O/c1-12(18)13-5-6-16-14(9-13)10-15(17(21)19-16)11-20-7-3-2-4-8-20/h5-6,9-10,12H,2-4,7-8,11,18H2,1H3,(H,19,21)/p+2/t12-/m0/s1