3-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 3-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-[2-(1-pyrrolidin-1-iumyl)ethylthio]-1-(1-pyrrolidinyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-(2-pyrrolidin-1-ium-1-ylethylthio)-1-pyrrolidino-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C20H29N4S+ MolecularWeight: 357.53606

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C(C(=C2C1)C#N)SCC[NH+]3CCCC3)N4CCCC4

Isomeric SMILES

C1CCC2=C(N=C(C(=C2C1)C#N)SCC[NH+]3CCCC3)N4CCCC4

InChI

InChI=1S/C20H28N4S/c21-15-18-16-7-1-2-8-17(16)19(24-11-5-6-12-24)22-20(18)25-14-13-23-9-3-4-10-23/h1-14H2/p+1