N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-3,6-dimethyl-9H-xanthene-9-carboxamide

Systemtic Name: N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-3,6-dimethyl-9H-xanthene-9-carboxamide Openeye Name: N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-3,6-dimethyl-9H-xanthene-9-carboxamide CAS Name: N-[1-(cyclooctylmethyl)-1-methyl-4-piperidin-1-iumyl]-3,6-dimethyl-9H-xanthene-9-carboxamide IUPAC Name: N-[1-(cyclooctylmethyl)-1-methylpiperidin-1-ium-4-yl]-3,6-dimethyl-9H-xanthene-9-carboxamide Traditional Name: N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-3,6-dimethyl-9H-xanthene-9-carboxamide Formula: C31H43N2O2+ MolecularWeight: 475.68532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(C3=C(O2)C=C(C=C3)C)C(=O)NC4CC[N+](CC4)(C)CC5CCCCCCC5

Isomeric SMILES

CC1=CC2=C(C=C1)C(C3=C(O2)C=C(C=C3)C)C(=O)NC4CC[N+](CC4)(C)CC5CCCCCCC5

InChI

InChI=1S/C31H42N2O2/c1-22-11-13-26-28(19-22)35-29-20-23(2)12-14-27(29)30(26)31(34)32-25-15-17-33(3,18-16-25)21-24-9-7-5-4-6-8-10-24/h11-14,19-20,24-25,30H,4-10,15-18,21H2,1-3H3/p+1