N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethyl]-5-nitro-quinolin-8-amine

Systemtic Name: N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethyl]-5-nitro-quinolin-8-amine Openeye Name: N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethyl]-5-nitro-quinolin-8-amine CAS Name: N-[2-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]ethyl]-5-nitro-8-quinolinamine IUPAC Name: N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethyl]-5-nitroquinolin-8-amine Traditional Name: 2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethyl-(5-nitro-8-quinolyl)amine Formula: C18H25N4O2+ MolecularWeight: 329.4167

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CCNC2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3)C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)CCNC2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3)C

InChI

InChI=1S/C18H24N4O2/c1-13-10-14(2)12-21(11-13)9-8-19-16-5-6-17(22(23)24)15-4-3-7-20-18(15)16/h3-7,13-14,19H,8-12H2,1-2H3/p+1/t13-,14-/m0/s1