N-[2-[[(3S)-3-morpholin-4-ylpiperidin-1-ium-1-yl]methyl]quinolin-6-yl]ethanamide

Systemtic Name: N-[2-[[(3S)-3-morpholin-4-ylpiperidin-1-ium-1-yl]methyl]quinolin-6-yl]ethanamide Openeye Name: N-[2-[[(3S)-3-morpholinopiperidin-1-ium-1-yl]methyl]-6-quinolyl]acetamide CAS Name: N-[2-[[(3S)-3-(4-morpholinyl)-1-piperidin-1-iumyl]methyl]-6-quinolinyl]acetamide IUPAC Name: N-[2-[[(3S)-3-morpholin-4-ylpiperidin-1-ium-1-yl]methyl]quinolin-6-yl]acetamide Traditional Name: N-[2-[[(3S)-3-morpholinopiperidin-1-ium-1-yl]methyl]-6-quinolyl]acetamide Formula: C21H29N4O2+ MolecularWeight: 369.48056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(C=C2)C[NH+]3CCCC(C3)N4CCOCC4

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(C=C2)C[NH+]3CCC[C@@H](C3)N4CCOCC4

InChI

InChI=1S/C21H28N4O2/c1-16(26)22-18-6-7-21-17(13-18)4-5-19(23-21)14-24-8-2-3-20(15-24)25-9-11-27-12-10-25/h4-7,13,20H,2-3,8-12,14-15H2,1H3,(H,22,26)/p+1/t20-/m0/s1