N-[1-(cyclooctylmethyl)-1-ethyl-piperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide iodide

Systemtic Name: N-[1-(cyclooctylmethyl)-1-ethyl-piperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide iodide Openeye Name: N-[1-(cyclooctylmethyl)-1-ethyl-piperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide iodide CAS Name: N-[1-(cyclooctylmethyl)-1-ethyl-4-piperidin-1-iumyl]-9H-xanthene-9-carboxamide iodide IUPAC Name: N-[1-(cyclooctylmethyl)-1-ethylpiperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide iodide Traditional Name: N-[1-(cyclooctylmethyl)-1-ethyl-piperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide iodide Formula: C30H41IN2O2 MolecularWeight: 588.56321

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCC(CC1)NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)CC5CCCCCCC5.[I-]

Isomeric SMILES

CC[N+]1(CCC(CC1)NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)CC5CCCCCCC5.[I-]

InChI

InChI=1S/C30H40N2O2.HI/c1-2-32(22-23-12-6-4-3-5-7-13-23)20-18-24(19-21-32)31-30(33)29-25-14-8-10-16-27(25)34-28-17-11-9-15-26(28)29;/h8-11,14-17,23-24,29H,2-7,12-13,18-22H2,1H3;1H