N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-2,6-dimethoxy-9H-xanthene-9-carboxamide

Systemtic Name: N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-2,6-dimethoxy-9H-xanthene-9-carboxamide Openeye Name: N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-2,6-dimethoxy-9H-xanthene-9-carboxamide CAS Name: N-[1-(cyclooctylmethyl)-1-methyl-4-piperidin-1-iumyl]-2,6-dimethoxy-9H-xanthene-9-carboxamide IUPAC Name: N-[1-(cyclooctylmethyl)-1-methylpiperidin-1-ium-4-yl]-2,6-dimethoxy-9H-xanthene-9-carboxamide Traditional Name: N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-2,6-dimethoxy-9H-xanthene-9-carboxamide Formula: C31H43N2O4+ MolecularWeight: 507.68412

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)NC(=O)C2C3=C(C=C(C=C3)OC)OC4=C2C=C(C=C4)OC)CC5CCCCCCC5

Isomeric SMILES

C[N+]1(CCC(CC1)NC(=O)C2C3=C(C=C(C=C3)OC)OC4=C2C=C(C=C4)OC)CC5CCCCCCC5

InChI

InChI=1S/C31H42N2O4/c1-33(21-22-9-7-5-4-6-8-10-22)17-15-23(16-18-33)32-31(34)30-26-13-11-25(36-3)20-29(26)37-28-14-12-24(35-2)19-27(28)30/h11-14,19-20,22-23,30H,4-10,15-18,21H2,1-3H3/p+1