(3S)-1-(cyclohexylmethyl)-N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-(cyclohexylmethyl)-N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-1-(cyclohexylmethyl)-N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-1-(cyclohexylmethyl)-N-[[2-(ethylthio)-5-pyrimidinyl]methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-1-(cyclohexylmethyl)-N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-amine Traditional Name: [(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-[[2-(ethylthio)pyrimidin-5-yl]methyl]amine Formula: C19H33N4S+ MolecularWeight: 349.55712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(C=N1)CNC2CCC[NH+](C2)CC3CCCCC3

Isomeric SMILES

CCSC1=NC=C(C=N1)CN[C@H]2CCC[NH+](C2)CC3CCCCC3

InChI

InChI=1S/C19H32N4S/c1-2-24-19-21-12-17(13-22-19)11-20-18-9-6-10-23(15-18)14-16-7-4-3-5-8-16/h12-13,16,18,20H,2-11,14-15H2,1H3/p+1/t18-/m0/s1