5-methyl-4-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-2-(pyridin-2-ylmethylsulfanyl)pyrimidine

Systemtic Name: 5-methyl-4-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-2-(pyridin-2-ylmethylsulfanyl)pyrimidine Openeye Name: 5-methyl-4-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-2-(2-pyridylmethylsulfanyl)pyrimidine CAS Name: 5-methyl-4-[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]-2-(2-pyridinylmethylthio)pyrimidine IUPAC Name: 5-methyl-4-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-2-(pyridin-2-ylmethylsulfanyl)pyrimidine Traditional Name: 5-methyl-4-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-2-(2-pyridylmethylthio)pyrimidine Formula: C25H31N4S+ MolecularWeight: 419.60544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2CCC[NH+](C2)CCCC3=CC=CC=C3)SCC4=CC=CC=N4

Isomeric SMILES

CC1=CN=C(N=C1[C@H]2CCC[NH+](C2)CCCC3=CC=CC=C3)SCC4=CC=CC=N4

InChI

InChI=1S/C25H30N4S/c1-20-17-27-25(30-19-23-13-5-6-14-26-23)28-24(20)22-12-8-16-29(18-22)15-7-11-21-9-3-2-4-10-21/h2-6,9-10,13-14,17,22H,7-8,11-12,15-16,18-19H2,1H3/p+1/t22-/m0/s1