dimethyl-phenethyl-[1-(9H-xanthen-9-ylcarbonyl)piperidin-4-yl]azanium

Systemtic Name: dimethyl-phenethyl-[1-(9H-xanthen-9-ylcarbonyl)piperidin-4-yl]azanium Openeye Name: dimethyl-phenethyl-[1-(9H-xanthene-9-carbonyl)-4-piperidyl]ammonium CAS Name: dimethyl-[1-[oxo(9H-xanthen-9-yl)methyl]-4-piperidinyl]-phenethylammonium IUPAC Name: dimethyl-phenethyl-[1-(9H-xanthene-9-carbonyl)piperidin-4-yl]azanium Traditional Name: dimethyl-phenethyl-[1-(9H-xanthene-9-carbonyl)-4-piperidyl]ammonium Formula: C29H33N2O2+ MolecularWeight: 441.58452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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