[(3S)-3-[5-methyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-quinolin-6-yl-methanone

Systemtic Name: [(3S)-3-[5-methyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-quinolin-6-yl-methanone Openeye Name: [(3S)-3-[5-methyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)pyrimidin-4-yl]-1-piperidyl]-(6-quinolyl)methanone CAS Name: [(3S)-3-[5-methyl-2-[2-(4-morpholin-4-iumyl)ethylthio]-4-pyrimidinyl]-1-piperidinyl]-(6-quinolinyl)methanone IUPAC Name: [(3S)-3-[5-methyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-quinolin-6-ylmethanone Traditional Name: [(3S)-3-[5-methyl-2-(2-morpholin-4-ium-4-ylethylthio)pyrimidin-4-yl]piperidino]-(6-quinolyl)methanone Formula: C26H32N5O2S+ MolecularWeight: 478.62958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2CCCN(C2)C(=O)C3=CC4=C(C=C3)N=CC=C4)SCC[NH+]5CCOCC5

Isomeric SMILES

CC1=CN=C(N=C1[C@H]2CCCN(C2)C(=O)C3=CC4=C(C=C3)N=CC=C4)SCC[NH+]5CCOCC5

InChI

InChI=1S/C26H31N5O2S/c1-19-17-28-26(34-15-12-30-10-13-33-14-11-30)29-24(19)22-5-3-9-31(18-22)25(32)21-6-7-23-20(16-21)4-2-8-27-23/h2,4,6-8,16-17,22H,3,5,9-15,18H2,1H3/p+1/t22-/m0/s1