[(1S)-1-(3-cyano-2-piperidin-1-yl-quinolin-6-yl)ethyl]azanium

Systemtic Name: [(1S)-1-(3-cyano-2-piperidin-1-yl-quinolin-6-yl)ethyl]azanium Openeye Name: [(1S)-1-[3-cyano-2-(1-piperidyl)-6-quinolyl]ethyl]ammonium CAS Name: [(1S)-1-[3-cyano-2-(1-piperidinyl)-6-quinolinyl]ethyl]ammonium IUPAC Name: [(1S)-1-(3-cyano-2-piperidin-1-ylquinolin-6-yl)ethyl]azanium Traditional Name: [(1S)-1-(3-cyano-2-piperidino-6-quinolyl)ethyl]ammonium Formula: C17H21N4+ MolecularWeight: 281.37544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)N=C(C(=C2)C#N)N3CCCCC3)[NH3+]

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)N=C(C(=C2)C#N)N3CCCCC3)[NH3+]

InChI

InChI=1S/C17H20N4/c1-12(19)13-5-6-16-14(9-13)10-15(11-18)17(20-16)21-7-3-2-4-8-21/h5-6,9-10,12H,2-4,7-8,19H2,1H3/p+1/t12-/m0/s1