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

Systemtic Name: carbamimidoyl-cyano-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-(4-hydroxyphenyl)azanium Openeye Name: carbamimidoyl-cyano-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-(4-hydroxyphenyl)ammonium CAS Name: carbamimidoyl-cyano-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-(4-hydroxyphenyl)ammonium IUPAC Name: carbamimidoyl-cyano-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-(4-hydroxyphenyl)azanium Traditional Name: amidino-cyano-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-(4-hydroxyphenyl)ammonium Formula: C20H20N5O3+ MolecularWeight: 378.4045

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)[N+](C#N)(C3=CC=C(C=C3)O)C(=N)N)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)[N+](C#N)(C3=CC=C(C=C3)O)C(=N)N)O)C

InChI

InChI=1S/C20H19N5O3/c1-20(2)18(27)17(15-9-12(10-21)3-8-16(15)28-20)25(11-22,19(23)24)13-4-6-14(26)7-5-13/h3-9,17-18,27H,1-2H3,(H3-,23,24,26)/p+1