methyl 7-bromanyl-9-[[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]carbamoyl]-9H-xanthene-2-carboxylate

Systemtic Name: methyl 7-bromanyl-9-[[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]carbamoyl]-9H-xanthene-2-carboxylate Openeye Name: methyl 7-bromo-9-[[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]carbamoyl]-9H-xanthene-2-carboxylate CAS Name: 7-bromo-9-[[[1-(cyclooctylmethyl)-1-methyl-4-piperidin-1-iumyl]amino]-oxomethyl]-9H-xanthene-2-carboxylic acid methyl ester IUPAC Name: methyl 7-bromo-9-[[1-(cyclooctylmethyl)-1-methylpiperidin-1-ium-4-yl]carbamoyl]-9H-xanthene-2-carboxylate Traditional Name: 7-bromo-9-[[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]carbamoyl]-9H-xanthene-2-carboxylic acid methyl ester Formula: C31H40BrN2O4+ MolecularWeight: 584.5643

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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)Br)CC5CCCCCCC5

Isomeric SMILES

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

InChI

InChI=1S/C31H39BrN2O4/c1-34(20-21-8-6-4-3-5-7-9-21)16-14-24(15-17-34)33-30(35)29-25-18-22(31(36)37-2)10-12-27(25)38-28-13-11-23(32)19-26(28)29/h10-13,18-19,21,24,29H,3-9,14-17,20H2,1-2H3/p+1