3-[3-(9-carboxy-9H-xanthen-1-yl)propylamino]propyl-diethyl-methyl-azanium

Systemtic Name: 3-[3-(9-carboxy-9H-xanthen-1-yl)propylamino]propyl-diethyl-methyl-azanium Openeye Name: 3-[3-(9-carboxy-9H-xanthen-1-yl)propylamino]propyl-diethyl-methyl-ammonium CAS Name: 3-[3-(9-carboxy-9H-xanthen-1-yl)propylamino]propyl-diethyl-methylammonium IUPAC Name: 3-[3-(9-carboxy-9H-xanthen-1-yl)propylamino]propyl-diethyl-methylazanium Traditional Name: 3-[3-(9-carboxy-9H-xanthen-1-yl)propylamino]propyl-diethyl-methyl-ammonium Formula: C25H35N2O3+ MolecularWeight: 411.557

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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/p+1