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

Systemtic Name: N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-3-methoxy-9H-xanthene-9-carboxamide Openeye Name: N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-3-methoxy-9H-xanthene-9-carboxamide CAS Name: N-[1-(cyclooctylmethyl)-1-methyl-4-piperidin-1-iumyl]-3-methoxy-9H-xanthene-9-carboxamide IUPAC Name: N-[1-(cyclooctylmethyl)-1-methylpiperidin-1-ium-4-yl]-3-methoxy-9H-xanthene-9-carboxamide Traditional Name: N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-3-methoxy-9H-xanthene-9-carboxamide Formula: C30H41N2O3+ MolecularWeight: 477.65814

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)NC(=O)C2C3=C(C=C(C=C3)OC)OC4=CC=CC=C24)CC5CCCCCCC5

Isomeric SMILES

C[N+]1(CCC(CC1)NC(=O)C2C3=C(C=C(C=C3)OC)OC4=CC=CC=C24)CC5CCCCCCC5

InChI

InChI=1S/C30H40N2O3/c1-32(21-22-10-6-4-3-5-7-11-22)18-16-23(17-19-32)31-30(33)29-25-12-8-9-13-27(25)35-28-20-24(34-2)14-15-26(28)29/h8-9,12-15,20,22-23,29H,3-7,10-11,16-19,21H2,1-2H3/p+1