3-ethylsulfanyl-1-piperidin-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile

Systemtic Name: 3-ethylsulfanyl-1-piperidin-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 3-ethylsulfanyl-1-(1-piperidyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 3-(ethylthio)-1-(1-piperidinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-ethylsulfanyl-1-piperidin-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-(ethylthio)-1-piperidino-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C17H24N3S+ MolecularWeight: 302.45756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=[NH+]C(=C2CCCCC2=C1C#N)N3CCCCC3

Isomeric SMILES

CCSC1=[NH+]C(=C2CCCCC2=C1C#N)N3CCCCC3

InChI

InChI=1S/C17H23N3S/c1-2-21-17-15(12-18)13-8-4-5-9-14(13)16(19-17)20-10-6-3-7-11-20/h2-11H2,1H3/p+1