(3R,4R)-4-(azepan-1-ium-1-yl)-1-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperidin-3-ol

Systemtic Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperidin-3-ol Openeye Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperidin-3-ol CAS Name: (3R,4R)-4-(1-azepan-1-iumyl)-1-[[2-(ethylthio)-5-pyrimidinyl]methyl]-3-piperidinol IUPAC Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperidin-3-ol Traditional Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[[2-(ethylthio)pyrimidin-5-yl]methyl]piperidin-3-ol Formula: C18H31N4OS+ MolecularWeight: 351.52994

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(C=N1)CN2CCC(C(C2)O)[NH+]3CCCCCC3

Isomeric SMILES

CCSC1=NC=C(C=N1)CN2CC[C@H]([C@@H](C2)O)[NH+]3CCCCCC3

InChI

InChI=1S/C18H30N4OS/c1-2-24-18-19-11-15(12-20-18)13-21-10-7-16(17(23)14-21)22-8-5-3-4-6-9-22/h11-12,16-17,23H,2-10,13-14H2,1H3/p+1/t16-,17-/m1/s1