[4-(1-adamantyl)piperazin-4-ium-1-yl]-(3-methylphenyl)methanone

Systemtic Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(3-methylphenyl)methanone Openeye Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(m-tolyl)methanone CAS Name: [4-(1-adamantyl)-1-piperazin-4-iumyl]-(3-methylphenyl)methanone IUPAC Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(3-methylphenyl)methanone Traditional Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(m-tolyl)methanone Formula: C22H31N2O+ MolecularWeight: 339.49434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H30N2O/c1-16-3-2-4-20(9-16)21(25)23-5-7-24(8-6-23)22-13-17-10-18(14-22)12-19(11-17)15-22/h2-4,9,17-19H,5-8,10-15H2,1H3/p+1