(5S)-3-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-9-phenethyl-3,9-diazoniaspiro[4.5]decane

Systemtic Name: (5S)-3-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-9-phenethyl-3,9-diazoniaspiro[4.5]decane Openeye Name: (5S)-3-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-9-phenethyl-3,9-diazoniaspiro[4.5]decane CAS Name: (5S)-3-[[2-(ethylthio)-5-pyrimidinyl]methyl]-9-phenethyl-3,9-diazoniaspiro[4.5]decane IUPAC Name: (5S)-3-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-9-phenethyl-3,9-diazoniaspiro[4.5]decane Traditional Name: (5S)-3-[[2-(ethylthio)pyrimidin-5-yl]methyl]-9-phenethyl-3,9-diazoniaspiro[4.5]decane Formula: C23H34N4S+2 MolecularWeight: 398.60786

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(C=N1)C[NH+]2CCC3(C2)CCC[NH+](C3)CCC4=CC=CC=C4

Isomeric SMILES

CCSC1=NC=C(C=N1)C[NH+]2CC[C@@]3(C2)CCC[NH+](C3)CCC4=CC=CC=C4

InChI

InChI=1S/C23H32N4S/c1-2-28-22-24-15-21(16-25-22)17-27-14-11-23(19-27)10-6-12-26(18-23)13-9-20-7-4-3-5-8-20/h3-5,7-8,15-16H,2,6,9-14,17-19H2,1H3/p+2/t23-/m0/s1