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

Systemtic Name: N-[1-(1-adamantylmethyl)-1-methyl-piperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide Openeye Name: N-[1-(1-adamantylmethyl)-1-methyl-piperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide CAS Name: N-[1-(1-adamantylmethyl)-1-methyl-4-piperidin-1-iumyl]-9H-xanthene-9-carboxamide IUPAC Name: N-[1-(1-adamantylmethyl)-1-methylpiperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide Traditional Name: N-[1-(1-adamantylmethyl)-1-methyl-piperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide Formula: C31H39N2O2+ MolecularWeight: 471.65356

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)CC56CC7CC(C5)CC(C7)C6

Isomeric SMILES

C[N+]1(CCC(CC1)NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)CC56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C31H38N2O2/c1-33(20-31-17-21-14-22(18-31)16-23(15-21)19-31)12-10-24(11-13-33)32-30(34)29-25-6-2-4-8-27(25)35-28-9-5-3-7-26(28)29/h2-9,21-24,29H,10-20H2,1H3/p+1