N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-2,7-diethyl-9H-xanthene-9-carboxamide

Systemtic Name: N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-2,7-diethyl-9H-xanthene-9-carboxamide Openeye Name: N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-2,7-diethyl-9H-xanthene-9-carboxamide CAS Name: N-[1-(cyclooctylmethyl)-1-methyl-4-piperidin-1-iumyl]-2,7-diethyl-9H-xanthene-9-carboxamide IUPAC Name: N-[1-(cyclooctylmethyl)-1-methylpiperidin-1-ium-4-yl]-2,7-diethyl-9H-xanthene-9-carboxamide Traditional Name: N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-2,7-diethyl-9H-xanthene-9-carboxamide Formula: C33H47N2O2+ MolecularWeight: 503.73848

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC3=C(C2C(=O)NC4CC[N+](CC4)(C)CC5CCCCCCC5)C=C(C=C3)CC

Isomeric SMILES

CCC1=CC2=C(C=C1)OC3=C(C2C(=O)NC4CC[N+](CC4)(C)CC5CCCCCCC5)C=C(C=C3)CC

InChI

InChI=1S/C33H46N2O2/c1-4-24-13-15-30-28(21-24)32(29-22-25(5-2)14-16-31(29)37-30)33(36)34-27-17-19-35(3,20-18-27)23-26-11-9-7-6-8-10-12-26/h13-16,21-22,26-27,32H,4-12,17-20,23H2,1-3H3/p+1