1-[3-[3-[diethyl(methyl)azaniumyl]propylamino]propyl]-9H-xanthene-9-carboxylate

Systemtic Name: 1-[3-[3-[diethyl(methyl)azaniumyl]propylamino]propyl]-9H-xanthene-9-carboxylate Openeye Name: 1-[3-[3-[diethyl(methyl)ammonio]propylamino]propyl]-9H-xanthene-9-carboxylate CAS Name: 1-[3-[3-[diethyl(methyl)ammonio]propylamino]propyl]-9H-xanthene-9-carboxylate IUPAC Name: 1-[3-[3-[diethyl(methyl)azaniumyl]propylamino]propyl]-9H-xanthene-9-carboxylate Traditional Name: 1-[3-[3-[diethyl(methyl)ammonio]propylamino]propyl]-9H-xanthene-9-carboxylate Formula: C25H34N2O3 MolecularWeight: 410.54906

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCCNCCCC1=C2C(C3=CC=CC=C3OC2=CC=C1)C(=O)[O-]

Isomeric SMILES

CC[N+](C)(CC)CCCNCCCC1=C2C(C3=CC=CC=C3OC2=CC=C1)C(=O)[O-]

InChI

InChI=1S/C25H34N2O3/c1-4-27(3,5-2)18-10-17-26-16-9-12-19-11-8-15-22-23(19)24(25(28)29)20-13-6-7-14-21(20)30-22/h6-8,11,13-15,24,26H,4-5,9-10,12,16-18H2,1-3H3