[9-[3-azanyl-2-methyl-4-(methylamino)phenyl]-6-(diethylamino)xanthen-3-ylidene]-diethyl-azanium

Systemtic Name: [9-[3-azanyl-2-methyl-4-(methylamino)phenyl]-6-(diethylamino)xanthen-3-ylidene]-diethyl-azanium Openeye Name: [9-[3-amino-2-methyl-4-(methylamino)phenyl]-6-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium CAS Name: [9-[3-amino-2-methyl-4-(methylamino)phenyl]-6-(diethylamino)-3-xanthenylidene]-diethylammonium IUPAC Name: [9-[3-amino-2-methyl-4-(methylamino)phenyl]-6-(diethylamino)xanthen-3-ylidene]-diethylazanium Traditional Name: [9-[3-amino-2-methyl-4-(methylamino)phenyl]-6-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium Formula: C29H37N4O+ MolecularWeight: 457.63028

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C(=C(C=C4)NC)N)C

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C(=C(C=C4)NC)N)C

InChI

InChI=1S/C29H36N4O/c1-7-32(8-2)20-11-13-23-26(17-20)34-27-18-21(33(9-3)10-4)12-14-24(27)28(23)22-15-16-25(31-6)29(30)19(22)5/h11-18H,7-10,30H2,1-6H3/p+1