N-[1-butyl-1-(cyclooctylmethyl)piperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide

Systemtic Name: N-[1-butyl-1-(cyclooctylmethyl)piperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide Openeye Name: N-[1-butyl-1-(cyclooctylmethyl)piperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide CAS Name: N-[1-butyl-1-(cyclooctylmethyl)-4-piperidin-1-iumyl]-9H-xanthene-9-carboxamide IUPAC Name: N-[1-butyl-1-(cyclooctylmethyl)piperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide Traditional Name: N-[1-butyl-1-(cyclooctylmethyl)piperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide Formula: C32H45N2O2+ MolecularWeight: 489.7119

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CCC(CC1)NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)CC5CCCCCCC5

Isomeric SMILES

CCCC[N+]1(CCC(CC1)NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)CC5CCCCCCC5

InChI

InChI=1S/C32H44N2O2/c1-2-3-21-34(24-25-13-7-5-4-6-8-14-25)22-19-26(20-23-34)33-32(35)31-27-15-9-11-17-29(27)36-30-18-12-10-16-28(30)31/h9-12,15-18,25-26,31H,2-8,13-14,19-24H2,1H3/p+1