[4-(1-adamantyl)piperazin-4-ium-1-yl]-(2-chlorophenyl)methanone

Systemtic Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(2-chlorophenyl)methanone Openeye Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(2-chlorophenyl)methanone CAS Name: [4-(1-adamantyl)-1-piperazin-4-iumyl]-(2-chlorophenyl)methanone IUPAC Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(2-chlorophenyl)methanone Traditional Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(2-chlorophenyl)methanone Formula: C21H28ClN2O+ MolecularWeight: 359.91282

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)C(=O)C5=CC=CC=C5Cl

Isomeric SMILES

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)C(=O)C5=CC=CC=C5Cl

InChI

InChI=1S/C21H27ClN2O/c22-19-4-2-1-3-18(19)20(25)23-5-7-24(8-6-23)21-12-15-9-16(13-21)11-17(10-15)14-21/h1-4,15-17H,5-14H2/p+1