4-[2-[dimethyl-[1-(9H-xanthen-9-ylcarbonyl)piperidin-4-yl]azaniumyl]ethyl]phenolate

Systemtic Name: 4-[2-[dimethyl-[1-(9H-xanthen-9-ylcarbonyl)piperidin-4-yl]azaniumyl]ethyl]phenolate Openeye Name: 4-[2-[dimethyl-[1-(9H-xanthene-9-carbonyl)-4-piperidyl]ammonio]ethyl]phenolate CAS Name: 4-[2-[dimethyl-[1-[oxo(9H-xanthen-9-yl)methyl]-4-piperidinyl]ammonio]ethyl]phenolate IUPAC Name: 4-[2-[dimethyl-[1-(9H-xanthene-9-carbonyl)piperidin-4-yl]azaniumyl]ethyl]phenolate Traditional Name: 4-[2-[dimethyl-[1-(9H-xanthene-9-carbonyl)-4-piperidyl]ammonio]ethyl]phenolate Formula: C29H32N2O3 MolecularWeight: 456.57598

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCC1=CC=C(C=C1)[O-])C2CCN(CC2)C(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

C[N+](C)(CCC1=CC=C(C=C1)[O-])C2CCN(CC2)C(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C29H32N2O3/c1-31(2,20-17-21-11-13-23(32)14-12-21)22-15-18-30(19-16-22)29(33)28-24-7-3-5-9-26(24)34-27-10-6-4-8-25(27)28/h3-14,22,28H,15-20H2,1-2H3