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

Systemtic Name: dimethyl-(3-phenylpropyl)-[1-(9H-xanthen-9-ylcarbonyl)azetidin-3-yl]azanium Openeye Name: dimethyl-(3-phenylpropyl)-[1-(9H-xanthene-9-carbonyl)azetidin-3-yl]ammonium CAS Name: dimethyl-[1-[oxo(9H-xanthen-9-yl)methyl]-3-azetidinyl]-(3-phenylpropyl)ammonium IUPAC Name: dimethyl-(3-phenylpropyl)-[1-(9H-xanthene-9-carbonyl)azetidin-3-yl]azanium Traditional Name: dimethyl-(3-phenylpropyl)-[1-(9H-xanthene-9-carbonyl)azetidin-3-yl]ammonium Formula: C28H31N2O2+ MolecularWeight: 427.55794

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCC1=CC=CC=C1)C2CN(C2)C(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

C[N+](C)(CCCC1=CC=CC=C1)C2CN(C2)C(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C28H31N2O2/c1-30(2,18-10-13-21-11-4-3-5-12-21)22-19-29(20-22)28(31)27-23-14-6-8-16-25(23)32-26-17-9-7-15-24(26)27/h3-9,11-12,14-17,22,27H,10,13,18-20H2,1-2H3/q+1