(2R)-2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(1,3-benzodioxol-5-ylmethyl)propanamide

Systemtic Name: (2R)-2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(1,3-benzodioxol-5-ylmethyl)propanamide Openeye Name: (2R)-2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(1,3-benzodioxol-5-ylmethyl)propanamide CAS Name: (2R)-2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-(1,3-benzodioxol-5-ylmethyl)propanamide IUPAC Name: (2R)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-(1,3-benzodioxol-5-ylmethyl)propanamide Traditional Name: (2R)-2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-piperonyl-propionamide Formula: C18H16N5O3S+ MolecularWeight: 382.41634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=C(C=C(C(=[NH+]3)N)C#N)C#N

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=C(C=C(C(=[NH+]3)N)C#N)C#N

InChI

InChI=1S/C18H15N5O3S/c1-10(27-18-13(7-20)5-12(6-19)16(21)23-18)17(24)22-8-11-2-3-14-15(4-11)26-9-25-14/h2-5,10H,8-9H2,1H3,(H2,21,23)(H,22,24)/p+1/t10-/m1/s1