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

Systemtic Name: 1H-indol-6-yl-[(3S)-3-[5-methyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methanone Openeye Name: 1H-indol-6-yl-[(3S)-3-[5-methyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)pyrimidin-4-yl]-1-piperidyl]methanone CAS Name: 1H-indol-6-yl-[(3S)-3-[5-methyl-2-[2-(4-morpholin-4-iumyl)ethylthio]-4-pyrimidinyl]-1-piperidinyl]methanone IUPAC Name: 1H-indol-6-yl-[(3S)-3-[5-methyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methanone Traditional Name: 1H-indol-6-yl-[(3S)-3-[5-methyl-2-(2-morpholin-4-ium-4-ylethylthio)pyrimidin-4-yl]piperidino]methanone Formula: C25H32N5O2S+ MolecularWeight: 466.61888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2CCCN(C2)C(=O)C3=CC4=C(C=C3)C=CN4)SCC[NH+]5CCOCC5

Isomeric SMILES

CC1=CN=C(N=C1[C@H]2CCCN(C2)C(=O)C3=CC4=C(C=C3)C=CN4)SCC[NH+]5CCOCC5

InChI

InChI=1S/C25H31N5O2S/c1-18-16-27-25(33-14-11-29-9-12-32-13-10-29)28-23(18)21-3-2-8-30(17-21)24(31)20-5-4-19-6-7-26-22(19)15-20/h4-7,15-16,21,26H,2-3,8-14,17H2,1H3/p+1/t21-/m0/s1