4,6-bis(azanyl)-2-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 4,6-bis(azanyl)-2-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyl-pyridin-1-ium-3-carbonitrile Openeye Name: 4,6-diamino-2-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyl-pyridin-1-ium-3-carbonitrile CAS Name: 4,6-diamino-2-[[(1R)-1-(2-chlorophenyl)ethyl]thio]-3-pyridin-1-iumcarbonitrile IUPAC Name: 4,6-diamino-2-[(1R)-1-(2-chlorophenyl)ethyl]sulfanylpyridin-1-ium-3-carbonitrile Traditional Name: 4,6-diamino-2-[[(1R)-1-(2-chlorophenyl)ethyl]thio]pyridin-1-ium-3-carbonitrile Formula: C14H14ClN4S+ MolecularWeight: 305.80576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1Cl)SC2=C(C(=CC(=[NH+]2)N)N)C#N

Isomeric SMILES

C[C@H](C1=CC=CC=C1Cl)SC2=C(C(=CC(=[NH+]2)N)N)C#N

InChI

InChI=1S/C14H13ClN4S/c1-8(9-4-2-3-5-11(9)15)20-14-10(7-16)12(17)6-13(18)19-14/h2-6,8H,1H3,(H4,17,18,19)/p+1/t8-/m1/s1