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

Systemtic Name: [(1S)-1-[2-oxidanylidene-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-quinolin-6-yl]ethyl]azanium Openeye Name: [(1S)-1-[2-oxo-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-quinolin-6-yl]ethyl]ammonium CAS Name: [(1S)-1-[2-oxo-3-(1-pyrrolidin-1-iumylmethyl)-1H-quinolin-6-yl]ethyl]ammonium IUPAC Name: [(1S)-1-[2-oxo-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-quinolin-6-yl]ethyl]azanium Traditional Name: [(1S)-1-[2-keto-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-quinolin-6-yl]ethyl]ammonium Formula: C16H23N3O+2 MolecularWeight: 273.37332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)NC(=O)C(=C2)C[NH+]3CCCC3)[NH3+]

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)NC(=O)C(=C2)C[NH+]3CCCC3)[NH3+]

InChI

InChI=1S/C16H21N3O/c1-11(17)12-4-5-15-13(8-12)9-14(16(20)18-15)10-19-6-2-3-7-19/h4-5,8-9,11H,2-3,6-7,10,17H2,1H3,(H,18,20)/p+2/t11-/m0/s1