2-bromanyl-N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide iodide

Systemtic Name: 2-bromanyl-N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide iodide Openeye Name: 2-bromo-N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide iodide CAS Name: 2-bromo-N-[1-(cyclooctylmethyl)-1-methyl-4-piperidin-1-iumyl]-9H-xanthene-9-carboxamide iodide IUPAC Name: 2-bromo-N-[1-(cyclooctylmethyl)-1-methylpiperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide iodide Traditional Name: 2-bromo-N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide iodide Formula: C29H38BrIN2O2 MolecularWeight: 653.43269

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)NC(=O)C2C3=CC=CC=C3OC4=C2C=C(C=C4)Br)CC5CCCCCCC5.[I-]

Isomeric SMILES

C[N+]1(CCC(CC1)NC(=O)C2C3=CC=CC=C3OC4=C2C=C(C=C4)Br)CC5CCCCCCC5.[I-]

InChI

InChI=1S/C29H37BrN2O2.HI/c1-32(20-21-9-5-3-2-4-6-10-21)17-15-23(16-18-32)31-29(33)28-24-11-7-8-12-26(24)34-27-14-13-22(30)19-25(27)28;/h7-8,11-14,19,21,23,28H,2-6,9-10,15-18,20H2,1H3;1H