carbamimidoyl-cyano-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-(3-methylphenyl)azanium

Systemtic Name: carbamimidoyl-cyano-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-(3-methylphenyl)azanium Openeye Name: carbamimidoyl-cyano-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-(m-tolyl)ammonium CAS Name: carbamimidoyl-cyano-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-(3-methylphenyl)ammonium IUPAC Name: carbamimidoyl-cyano-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-(3-methylphenyl)azanium Traditional Name: amidino-cyano-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-(m-tolyl)ammonium Formula: C21H22N5O2+ MolecularWeight: 376.43168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)[N+](C#N)(C2C(C(OC3=C2C=C(C=C3)C#N)(C)C)O)C(=N)N

Isomeric SMILES

CC1=CC(=CC=C1)[N+](C#N)(C2C(C(OC3=C2C=C(C=C3)C#N)(C)C)O)C(=N)N

InChI

InChI=1S/C21H22N5O2/c1-13-5-4-6-15(9-13)26(12-23,20(24)25)18-16-10-14(11-22)7-8-17(16)28-21(2,3)19(18)27/h4-10,18-19,27H,1-3H3,(H3,24,25)/q+1