N-[1-(1-cyclooctylethyl)-1-methyl-piperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide

Systemtic Name: N-[1-(1-cyclooctylethyl)-1-methyl-piperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide Openeye Name: N-[1-(1-cyclooctylethyl)-1-methyl-piperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide CAS Name: N-[1-(1-cyclooctylethyl)-1-methyl-4-piperidin-1-iumyl]-9H-xanthene-9-carboxamide IUPAC Name: N-[1-(1-cyclooctylethyl)-1-methylpiperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide Traditional Name: N-[1-(1-cyclooctylethyl)-1-methyl-piperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide Formula: C30H41N2O2+ MolecularWeight: 461.65874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCCCC1)[N+]2(CCC(CC2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)C

Isomeric SMILES

CC(C1CCCCCCC1)[N+]2(CCC(CC2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)C

InChI

InChI=1S/C30H40N2O2/c1-22(23-12-6-4-3-5-7-13-23)32(2)20-18-24(19-21-32)31-30(33)29-25-14-8-10-16-27(25)34-28-17-11-9-15-26(28)29/h8-11,14-17,22-24,29H,3-7,12-13,18-21H2,1-2H3/p+1