dimethyl-(4-phenylbutyl)-[1-(9H-xanthen-9-ylcarbonyl)azetidin-3-yl]azanium

Systemtic Name: dimethyl-(4-phenylbutyl)-[1-(9H-xanthen-9-ylcarbonyl)azetidin-3-yl]azanium Openeye Name: dimethyl-(4-phenylbutyl)-[1-(9H-xanthene-9-carbonyl)azetidin-3-yl]ammonium CAS Name: dimethyl-[1-[oxo(9H-xanthen-9-yl)methyl]-3-azetidinyl]-(4-phenylbutyl)ammonium IUPAC Name: dimethyl-(4-phenylbutyl)-[1-(9H-xanthene-9-carbonyl)azetidin-3-yl]azanium Traditional Name: dimethyl-(4-phenylbutyl)-[1-(9H-xanthene-9-carbonyl)azetidin-3-yl]ammonium Formula: C29H33N2O2+ MolecularWeight: 441.58452

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCCC1=CC=CC=C1)C2CN(C2)C(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

C[N+](C)(CCCCC1=CC=CC=C1)C2CN(C2)C(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C29H33N2O2/c1-31(2,19-11-10-14-22-12-4-3-5-13-22)23-20-30(21-23)29(32)28-24-15-6-8-17-26(24)33-27-18-9-7-16-25(27)28/h3-9,12-13,15-18,23,28H,10-11,14,19-21H2,1-2H3/q+1