[4-(2-adamantyl)piperazin-4-ium-1-yl]-[5-[(4-bromanylpyrazol-1-yl)methyl]furan-2-yl]methanone

Systemtic Name: [4-(2-adamantyl)piperazin-4-ium-1-yl]-[5-[(4-bromanylpyrazol-1-yl)methyl]furan-2-yl]methanone Openeye Name: [4-(2-adamantyl)piperazin-4-ium-1-yl]-[5-[(4-bromopyrazol-1-yl)methyl]-2-furyl]methanone CAS Name: [4-(2-adamantyl)-1-piperazin-4-iumyl]-[5-[(4-bromo-1-pyrazolyl)methyl]-2-furanyl]methanone IUPAC Name: [4-(2-adamantyl)piperazin-4-ium-1-yl]-[5-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]methanone Traditional Name: [4-(2-adamantyl)piperazin-4-ium-1-yl]-[5-[(4-bromopyrazol-1-yl)methyl]-2-furyl]methanone Formula: C23H30BrN4O2+ MolecularWeight: 474.4139

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2C3CC4CC(C3)CC2C4)C(=O)C5=CC=C(O5)CN6C=C(C=N6)Br

Isomeric SMILES

C1CN(CC[NH+]1C2C3CC4CC(C3)CC2C4)C(=O)C5=CC=C(O5)CN6C=C(C=N6)Br

InChI

InChI=1S/C23H29BrN4O2/c24-19-12-25-28(13-19)14-20-1-2-21(30-20)23(29)27-5-3-26(4-6-27)22-17-8-15-7-16(10-17)11-18(22)9-15/h1-2,12-13,15-18,22H,3-11,14H2/p+1