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2-ethylsulfanyl-6-(phenylmethyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile

2-ethylsulfanyl-6-(phenylmethyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile

Systemtic Name:2-ethylsulfanyl-6-(phenylmethyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile
Openeye Name:6-benzyl-2-ethylsulfanyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile
CAS Name:2-(ethylthio)-6-(phenylmethyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile
IUPAC Name:6-benzyl-2-ethylsulfanyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile
Traditional Name:6-benzyl-2-(ethylthio)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile
Formula: C18H20N3S+
MolecularWeight: 310.4365
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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C[NH+](CC2)CC3=CC=CC=C3)C=C1C#N


Isomeric SMILES

CCSC1=NC2=C(C[NH+](CC2)CC3=CC=CC=C3)C=C1C#N


InChI

InChI=1S/C18H19N3S/c1-2-22-18-15(11-19)10-16-13-21(9-8-17(16)20-18)12-14-6-4-3-5-7-14/h3-7,10H,2,8-9,12-13H2,1H3/p+1


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