[1-azanyl-3-[3-[5-(3-azanyl-2-methylidyneazaniumyl-3-oxidanylidene-propyl)-2-oxidanyl-phenyl]-4-oxidanyl-phenyl]-1-oxidanylidene-propan-2-yl]-methylidyne-azanium

Systemtic Name: [1-azanyl-3-[3-[5-(3-azanyl-2-methylidyneazaniumyl-3-oxidanylidene-propyl)-2-oxidanyl-phenyl]-4-oxidanyl-phenyl]-1-oxidanylidene-propan-2-yl]-methylidyne-azanium Openeye Name: [2-amino-1-[[3-[5-(3-amino-2-methylidyneammonio-3-oxo-propyl)-2-hydroxy-phenyl]-4-hydroxy-phenyl]methyl]-2-oxo-ethyl]-methylidyne-ammonium CAS Name: [1-amino-3-[3-[5-(3-amino-2-methylidyneammonio-3-oxopropyl)-2-hydroxyphenyl]-4-hydroxyphenyl]-1-oxopropan-2-yl]-methylidyneammonium IUPAC Name: [1-amino-3-[3-[5-(3-amino-2-methylidyneazaniumyl-3-oxopropyl)-2-hydroxyphenyl]-4-hydroxyphenyl]-1-oxopropan-2-yl]-methylidyneazanium Traditional Name: [2-amino-1-[3-[5-(3-amino-3-keto-2-methylidyneammonio-propyl)-2-hydroxy-phenyl]-4-hydroxy-benzyl]-2-keto-ethyl]-methylidyne-ammonium Formula: C20H20N4O4+2 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

C#[N+]C(CC1=CC(=C(C=C1)O)C2=C(C=CC(=C2)CC(C(=O)N)[N+]#C)O)C(=O)N

Isomeric SMILES

C#[N+]C(CC1=CC(=C(C=C1)O)C2=C(C=CC(=C2)CC(C(=O)N)[N+]#C)O)C(=O)N

InChI

InChI=1S/C20H18N4O4/c1-23-15(19(21)27)9-11-3-5-17(25)13(7-11)14-8-12(4-6-18(14)26)10-16(24-2)20(22)28/h1-8,15-16H,9-10H2,(H4-2,21,22,25,26,27,28)/p+2