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

Systemtic Name: dimethyl-phenethyl-[1-(9H-xanthen-9-ylcarbonyl)azetidin-3-yl]azanium Openeye Name: dimethyl-phenethyl-[1-(9H-xanthene-9-carbonyl)azetidin-3-yl]ammonium CAS Name: dimethyl-[1-[oxo(9H-xanthen-9-yl)methyl]-3-azetidinyl]-phenethylammonium IUPAC Name: dimethyl-phenethyl-[1-(9H-xanthene-9-carbonyl)azetidin-3-yl]azanium Traditional Name: dimethyl-phenethyl-[1-(9H-xanthene-9-carbonyl)azetidin-3-yl]ammonium Formula: C27H29N2O2+ MolecularWeight: 413.53136

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCC1=CC=CC=C1)C2CN(C2)C(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

C[N+](C)(CCC1=CC=CC=C1)C2CN(C2)C(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C27H29N2O2/c1-29(2,17-16-20-10-4-3-5-11-20)21-18-28(19-21)27(30)26-22-12-6-8-14-24(22)31-25-15-9-7-13-23(25)26/h3-15,21,26H,16-19H2,1-2H3/q+1