N-(1-methyl-1-undecyl-piperidin-1-ium-4-yl)-9H-xanthene-9-carboxamide

Systemtic Name: N-(1-methyl-1-undecyl-piperidin-1-ium-4-yl)-9H-xanthene-9-carboxamide Openeye Name: N-(1-methyl-1-undecyl-piperidin-1-ium-4-yl)-9H-xanthene-9-carboxamide CAS Name: N-(1-methyl-1-undecyl-4-piperidin-1-iumyl)-9H-xanthene-9-carboxamide IUPAC Name: N-(1-methyl-1-undecylpiperidin-1-ium-4-yl)-9H-xanthene-9-carboxamide Traditional Name: N-(1-methyl-1-undecyl-piperidin-1-ium-4-yl)-9H-xanthene-9-carboxamide Formula: C31H45N2O2+ MolecularWeight: 477.7012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC[N+]1(CCC(CC1)NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)C

Isomeric SMILES

CCCCCCCCCCC[N+]1(CCC(CC1)NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)C

InChI

InChI=1S/C31H44N2O2/c1-3-4-5-6-7-8-9-10-15-22-33(2)23-20-25(21-24-33)32-31(34)30-26-16-11-13-18-28(26)35-29-19-14-12-17-27(29)30/h11-14,16-19,25,30H,3-10,15,20-24H2,1-2H3/p+1