3-[4-(1-adamantyl)piperazin-4-ium-1-yl]carbonyl-8-methoxy-chromen-2-one

Systemtic Name: 3-[4-(1-adamantyl)piperazin-4-ium-1-yl]carbonyl-8-methoxy-chromen-2-one Openeye Name: 3-[4-(1-adamantyl)piperazin-4-ium-1-carbonyl]-8-methoxy-chromen-2-one CAS Name: 3-[[4-(1-adamantyl)-1-piperazin-4-iumyl]-oxomethyl]-8-methoxy-1-benzopyran-2-one IUPAC Name: 3-[4-(1-adamantyl)piperazin-4-ium-1-carbonyl]-8-methoxychromen-2-one Traditional Name: 3-[4-(1-adamantyl)piperazin-4-ium-1-carbonyl]-8-methoxy-coumarin Formula: C25H31N2O4+ MolecularWeight: 423.52464

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)N3CC[NH+](CC3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)N3CC[NH+](CC3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H30N2O4/c1-30-21-4-2-3-19-12-20(24(29)31-22(19)21)23(28)26-5-7-27(8-6-26)25-13-16-9-17(14-25)11-18(10-16)15-25/h2-4,12,16-18H,5-11,13-15H2,1H3/p+1