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

Systemtic Name: 2-bromanyl-N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide Openeye Name: 2-bromo-N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide CAS Name: 2-bromo-N-[1-(cyclooctylmethyl)-1-methyl-4-piperidin-1-iumyl]-9H-xanthene-9-carboxamide IUPAC Name: 2-bromo-N-[1-(cyclooctylmethyl)-1-methylpiperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide Traditional Name: 2-bromo-N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide Formula: C29H38BrN2O2+ MolecularWeight: 526.52822

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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

Isomeric SMILES

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

InChI

InChI=1S/C29H37BrN2O2/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/p+1