2-[(3S)-3-[5-methyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]carbonylchromen-4-one

Systemtic Name: 2-[(3S)-3-[5-methyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]carbonylchromen-4-one Openeye Name: 2-[(3S)-3-[5-methyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)pyrimidin-4-yl]piperidine-1-carbonyl]chromen-4-one CAS Name: 2-[[(3S)-3-[5-methyl-2-[2-(4-morpholin-4-iumyl)ethylthio]-4-pyrimidinyl]-1-piperidinyl]-oxomethyl]-1-benzopyran-4-one IUPAC Name: 2-[(3S)-3-[5-methyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)pyrimidin-4-yl]piperidine-1-carbonyl]chromen-4-one Traditional Name: 2-[(3S)-3-[5-methyl-2-(2-morpholin-4-ium-4-ylethylthio)pyrimidin-4-yl]piperidine-1-carbonyl]chromone Formula: C26H31N4O4S+ MolecularWeight: 495.61374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2CCCN(C2)C(=O)C3=CC(=O)C4=CC=CC=C4O3)SCC[NH+]5CCOCC5

Isomeric SMILES

CC1=CN=C(N=C1[C@H]2CCCN(C2)C(=O)C3=CC(=O)C4=CC=CC=C4O3)SCC[NH+]5CCOCC5

InChI

InChI=1S/C26H30N4O4S/c1-18-16-27-26(35-14-11-29-9-12-33-13-10-29)28-24(18)19-5-4-8-30(17-19)25(32)23-15-21(31)20-6-2-3-7-22(20)34-23/h2-3,6-7,15-16,19H,4-5,8-14,17H2,1H3/p+1/t19-/m0/s1