(2R)-2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]propanamide

Systemtic Name: (2R)-2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]propanamide Openeye Name: (2R)-2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]propanamide CAS Name: (2R)-2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-[2-(1-cyclohexenyl)ethyl]propanamide IUPAC Name: (2R)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]propanamide Traditional Name: (2R)-2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-[2-(cyclohexen-1-yl)ethyl]propionamide Formula: C18H22N5OS+ MolecularWeight: 356.46518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CCCCC1)SC2=C(C=C(C(=[NH+]2)N)C#N)C#N

Isomeric SMILES

C[C@H](C(=O)NCCC1=CCCCC1)SC2=C(C=C(C(=[NH+]2)N)C#N)C#N

InChI

InChI=1S/C18H21N5OS/c1-12(17(24)22-8-7-13-5-3-2-4-6-13)25-18-15(11-20)9-14(10-19)16(21)23-18/h5,9,12H,2-4,6-8H2,1H3,(H2,21,23)(H,22,24)/p+1/t12-/m1/s1