ethyl 2-[[9-[[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]carbamoyl]-9H-xanthen-2-yl]carbonylamino]ethanoate

Systemtic Name: ethyl 2-[[9-[[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]carbamoyl]-9H-xanthen-2-yl]carbonylamino]ethanoate Openeye Name: ethyl 2-[[9-[[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]carbamoyl]-9H-xanthene-2-carbonyl]amino]acetate CAS Name: 2-[[[9-[[[1-(cyclooctylmethyl)-1-methyl-4-piperidin-1-iumyl]amino]-oxomethyl]-9H-xanthen-2-yl]-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[9-[[1-(cyclooctylmethyl)-1-methylpiperidin-1-ium-4-yl]carbamoyl]-9H-xanthene-2-carbonyl]amino]acetate Traditional Name: 2-[[9-[[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]carbamoyl]-9H-xanthene-2-carbonyl]amino]acetic acid ethyl ester Formula: C34H46N3O5+ MolecularWeight: 576.74614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)C1=CC2=C(C=C1)OC3=CC=CC=C3C2C(=O)NC4CC[N+](CC4)(C)CC5CCCCCCC5

Isomeric SMILES

CCOC(=O)CNC(=O)C1=CC2=C(C=C1)OC3=CC=CC=C3C2C(=O)NC4CC[N+](CC4)(C)CC5CCCCCCC5

InChI

InChI=1S/C34H45N3O5/c1-3-41-31(38)22-35-33(39)25-15-16-30-28(21-25)32(27-13-9-10-14-29(27)42-30)34(40)36-26-17-19-37(2,20-18-26)23-24-11-7-5-4-6-8-12-24/h9-10,13-16,21,24,26,32H,3-8,11-12,17-20,22-23H2,1-2H3,(H-,35,36,39,40)/p+1