dimethyl-[[2-(9-methylxanthen-9-yl)-1,3-oxazol-5-yl]methyl]-(3-phenoxypropyl)azanium

Systemtic Name: dimethyl-[[2-(9-methylxanthen-9-yl)-1,3-oxazol-5-yl]methyl]-(3-phenoxypropyl)azanium Openeye Name: dimethyl-[[2-(9-methylxanthen-9-yl)oxazol-5-yl]methyl]-(3-phenoxypropyl)ammonium CAS Name: dimethyl-[[2-(9-methyl-9-xanthenyl)-5-oxazolyl]methyl]-(3-phenoxypropyl)ammonium IUPAC Name: dimethyl-[[2-(9-methylxanthen-9-yl)-1,3-oxazol-5-yl]methyl]-(3-phenoxypropyl)azanium Traditional Name: dimethyl-[[2-(9-methylxanthen-9-yl)oxazol-5-yl]methyl]-(3-phenoxypropyl)ammonium Formula: C29H31N2O3+ MolecularWeight: 455.56804

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2OC3=CC=CC=C31)C4=NC=C(O4)C[N+](C)(C)CCCOC5=CC=CC=C5

Isomeric SMILES

CC1(C2=CC=CC=C2OC3=CC=CC=C31)C4=NC=C(O4)C[N+](C)(C)CCCOC5=CC=CC=C5

InChI

InChI=1S/C29H31N2O3/c1-29(24-14-7-9-16-26(24)34-27-17-10-8-15-25(27)29)28-30-20-23(33-28)21-31(2,3)18-11-19-32-22-12-5-4-6-13-22/h4-10,12-17,20H,11,18-19,21H2,1-3H3/q+1