3-[4-(1-adamantyl)piperazin-4-ium-1-yl]carbonyl-6-methoxy-chromen-2-one

Systemtic Name: 3-[4-(1-adamantyl)piperazin-4-ium-1-yl]carbonyl-6-methoxy-chromen-2-one Openeye Name: 3-[4-(1-adamantyl)piperazin-4-ium-1-carbonyl]-6-methoxy-chromen-2-one CAS Name: 3-[[4-(1-adamantyl)-1-piperazin-4-iumyl]-oxomethyl]-6-methoxy-1-benzopyran-2-one IUPAC Name: 3-[4-(1-adamantyl)piperazin-4-ium-1-carbonyl]-6-methoxychromen-2-one Traditional Name: 3-[4-(1-adamantyl)piperazin-4-ium-1-carbonyl]-6-methoxy-coumarin Formula: C25H31N2O4+ MolecularWeight: 423.52464

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)N3CC[NH+](CC3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)N3CC[NH+](CC3)C45CC6CC(C4)CC(C6)C5

InChI

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