2-[4-[(2-azanyl-3,7-dicyano-4,6-dimethyl-cyclopenta[b]pyridin-1-ium-5-ylidene)methyl]phenoxy]ethanamide

Systemtic Name: 2-[4-[(2-azanyl-3,7-dicyano-4,6-dimethyl-cyclopenta[b]pyridin-1-ium-5-ylidene)methyl]phenoxy]ethanamide Openeye Name: 2-[4-[(2-amino-3,7-dicyano-4,6-dimethyl-cyclopenta[b]pyridin-1-ium-5-ylidene)methyl]phenoxy]acetamide CAS Name: 2-[4-[(2-amino-3,7-dicyano-4,6-dimethyl-5-cyclopenta[b]pyridin-1-iumylidene)methyl]phenoxy]acetamide IUPAC Name: 2-[4-[(2-amino-3,7-dicyano-4,6-dimethylcyclopenta[b]pyridin-1-ium-5-ylidene)methyl]phenoxy]acetamide Traditional Name: 2-[4-[(2-amino-3,7-dicyano-4,6-dimethyl-1-pyrindin-1-ium-5-ylidene)methyl]phenoxy]acetamide Formula: C21H18N5O2+ MolecularWeight: 372.39992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C1=CC3=CC=C(C=C3)OCC(=O)N)C(=C(C(=[NH+]2)N)C#N)C)C#N

Isomeric SMILES

CC1=C(C2=C(C1=CC3=CC=C(C=C3)OCC(=O)N)C(=C(C(=[NH+]2)N)C#N)C)C#N

InChI

InChI=1S/C21H17N5O2/c1-11-15(7-13-3-5-14(6-4-13)28-10-18(24)27)19-12(2)17(9-23)21(25)26-20(19)16(11)8-22/h3-7H,10H2,1-2H3,(H2,24,27)(H2,25,26)/p+1