N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]anthracene-9-carboxamide iodide

Systemtic Name: N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]anthracene-9-carboxamide iodide Openeye Name: N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]anthracene-9-carboxamide iodide CAS Name: N-[1-(cyclooctylmethyl)-1-methyl-4-piperidin-1-iumyl]-9-anthracenecarboxamide iodide IUPAC Name: N-[1-(cyclooctylmethyl)-1-methylpiperidin-1-ium-4-yl]anthracene-9-carboxamide iodide Traditional Name: N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]anthracene-9-carboxamide iodide Formula: C30H39IN2O MolecularWeight: 570.54793

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)NC(=O)C2=C3C=CC=CC3=CC4=CC=CC=C42)CC5CCCCCCC5.[I-]

Isomeric SMILES

C[N+]1(CCC(CC1)NC(=O)C2=C3C=CC=CC3=CC4=CC=CC=C42)CC5CCCCCCC5.[I-]

InChI

InChI=1S/C30H38N2O.HI/c1-32(22-23-11-5-3-2-4-6-12-23)19-17-26(18-20-32)31-30(33)29-27-15-9-7-13-24(27)21-25-14-8-10-16-28(25)29;/h7-10,13-16,21,23,26H,2-6,11-12,17-20,22H2,1H3;1H