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

Systemtic Name: N-[1-(cyclooctylmethyl)-1-(phenylmethyl)piperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide bromide Openeye Name: N-[1-benzyl-1-(cyclooctylmethyl)piperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide bromide CAS Name: N-[1-(cyclooctylmethyl)-1-(phenylmethyl)-4-piperidin-1-iumyl]-9H-xanthene-9-carboxamide bromide IUPAC Name: N-[1-benzyl-1-(cyclooctylmethyl)piperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide bromide Traditional Name: N-[1-benzyl-1-(cyclooctylmethyl)piperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide bromide Formula: C35H43BrN2O2 MolecularWeight: 603.63212

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)C[N+]2(CCC(CC2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)CC6=CC=CC=C6.[Br-]

Isomeric SMILES

C1CCCC(CCC1)C[N+]2(CCC(CC2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)CC6=CC=CC=C6.[Br-]

InChI

InChI=1S/C35H42N2O2.BrH/c38-35(34-30-17-9-11-19-32(30)39-33-20-12-10-18-31(33)34)36-29-21-23-37(24-22-29,26-28-15-7-4-8-16-28)25-27-13-5-2-1-3-6-14-27;/h4,7-12,15-20,27,29,34H,1-3,5-6,13-14,21-26H2;1H