3-[4-(1-adamantyl)piperazin-4-ium-1-yl]carbonylchromen-2-one

Systemtic Name: 3-[4-(1-adamantyl)piperazin-4-ium-1-yl]carbonylchromen-2-one Openeye Name: 3-[4-(1-adamantyl)piperazin-4-ium-1-carbonyl]chromen-2-one CAS Name: 3-[[4-(1-adamantyl)-1-piperazin-4-iumyl]-oxomethyl]-1-benzopyran-2-one IUPAC Name: 3-[4-(1-adamantyl)piperazin-4-ium-1-carbonyl]chromen-2-one Traditional Name: 3-[4-(1-adamantyl)piperazin-4-ium-1-carbonyl]coumarin Formula: C24H29N2O3+ MolecularWeight: 393.49866

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)C(=O)C5=CC6=CC=CC=C6OC5=O

Isomeric SMILES

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)C(=O)C5=CC6=CC=CC=C6OC5=O

InChI

InChI=1S/C24H28N2O3/c27-22(20-12-19-3-1-2-4-21(19)29-23(20)28)25-5-7-26(8-6-25)24-13-16-9-17(14-24)11-18(10-16)15-24/h1-4,12,16-18H,5-11,13-15H2/p+1