[9-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]phenyl]-6-(diethylamino)xanthen-3-ylidene]-diethyl-azanium

Systemtic Name: [9-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]phenyl]-6-(diethylamino)xanthen-3-ylidene]-diethyl-azanium Openeye Name: [9-[2-[(3-amino-3-oxo-propyl)carbamoyl]phenyl]-6-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium CAS Name: [9-[2-[[(3-amino-3-oxopropyl)amino]-oxomethyl]phenyl]-6-(diethylamino)-3-xanthenylidene]-diethylammonium IUPAC Name: [9-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-6-(diethylamino)xanthen-3-ylidene]-diethylazanium Traditional Name: [9-[2-[(3-amino-3-keto-propyl)carbamoyl]phenyl]-6-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium Formula: C31H37N4O3+ MolecularWeight: 513.65048

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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=CC=CC=C4C(=O)NCCC(=O)N

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)NCCC(=O)N

InChI

InChI=1S/C31H36N4O3/c1-5-34(6-2)21-13-15-25-27(19-21)38-28-20-22(35(7-3)8-4)14-16-26(28)30(25)23-11-9-10-12-24(23)31(37)33-18-17-29(32)36/h9-16,19-20H,5-8,17-18H2,1-4H3,(H2-,32,33,36,37)/p+1