dimethyl 9-[[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]carbamoyl]-9H-xanthene-2,7-dicarboxylate

Systemtic Name: dimethyl 9-[[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]carbamoyl]-9H-xanthene-2,7-dicarboxylate Openeye Name: dimethyl 9-[[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]carbamoyl]-9H-xanthene-2,7-dicarboxylate CAS Name: 9-[[[1-(cyclooctylmethyl)-1-methyl-4-piperidin-1-iumyl]amino]-oxomethyl]-9H-xanthene-2,7-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 9-[[1-(cyclooctylmethyl)-1-methylpiperidin-1-ium-4-yl]carbamoyl]-9H-xanthene-2,7-dicarboxylate Traditional Name: 9-[[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]carbamoyl]-9H-xanthene-2,7-dicarboxylic acid dimethyl ester Formula: C33H43N2O6+ MolecularWeight: 563.70432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H42N2O6/c1-35(21-22-9-7-5-4-6-8-10-22)17-15-25(16-18-35)34-31(36)30-26-19-23(32(37)39-2)11-13-28(26)41-29-14-12-24(20-27(29)30)33(38)40-3/h11-14,19-20,22,25,30H,4-10,15-18,21H2,1-3H3/p+1