[8-[3-azanyl-2-carboxy-4-(methylamino)phenyl]-5-(diethylamino)xanthen-3-ylidene]-diethyl-azanium

Systemtic Name: [8-[3-azanyl-2-carboxy-4-(methylamino)phenyl]-5-(diethylamino)xanthen-3-ylidene]-diethyl-azanium Openeye Name: [8-[3-amino-2-carboxy-4-(methylamino)phenyl]-5-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium CAS Name: [8-[3-amino-2-carboxy-4-(methylamino)phenyl]-5-(diethylamino)-3-xanthenylidene]-diethylammonium IUPAC Name: [8-[3-amino-2-carboxy-4-(methylamino)phenyl]-5-(diethylamino)xanthen-3-ylidene]-diethylazanium Traditional Name: [8-[3-amino-2-carboxy-4-(methylamino)phenyl]-5-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium Formula: C29H35N4O3+ MolecularWeight: 487.6132

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C2C(=C(C=C1)C3=C(C(=C(C=C3)NC)N)C(=O)O)C=C4C=CC(=[N+](CC)CC)C=C4O2

Isomeric SMILES

CCN(CC)C1=C2C(=C(C=C1)C3=C(C(=C(C=C3)NC)N)C(=O)O)C=C4C=CC(=[N+](CC)CC)C=C4O2

InChI

InChI=1S/C29H34N4O3/c1-6-32(7-2)19-11-10-18-16-22-20(21-12-14-23(31-5)27(30)26(21)29(34)35)13-15-24(33(8-3)9-4)28(22)36-25(18)17-19/h10-17H,6-9,30H2,1-5H3,(H,34,35)/p+1