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

Systemtic Name: dimethyl-phenacyl-[1-(9H-xanthen-9-ylcarbonyl)piperidin-4-yl]azanium Openeye Name: dimethyl-phenacyl-[1-(9H-xanthene-9-carbonyl)-4-piperidyl]ammonium CAS Name: dimethyl-[1-[oxo(9H-xanthen-9-yl)methyl]-4-piperidinyl]-phenacylammonium IUPAC Name: dimethyl-phenacyl-[1-(9H-xanthene-9-carbonyl)piperidin-4-yl]azanium Traditional Name: dimethyl-phenacyl-[1-(9H-xanthene-9-carbonyl)-4-piperidyl]ammonium Formula: C29H31N2O3+ MolecularWeight: 455.56804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31N2O3/c1-31(2,20-25(32)21-10-4-3-5-11-21)22-16-18-30(19-17-22)29(33)28-23-12-6-8-14-26(23)34-27-15-9-7-13-24(27)28/h3-15,22,28H,16-20H2,1-2H3/q+1