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

Systemtic Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(2-methoxyphenyl)methanone Openeye Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(2-methoxyphenyl)methanone CAS Name: [4-(1-adamantyl)-1-piperazin-4-iumyl]-(2-methoxyphenyl)methanone IUPAC Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(2-methoxyphenyl)methanone Traditional Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(2-methoxyphenyl)methanone Formula: C22H31N2O2+ MolecularWeight: 355.49374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=CC=C1C(=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H30N2O2/c1-26-20-5-3-2-4-19(20)21(25)23-6-8-24(9-7-23)22-13-16-10-17(14-22)12-18(11-16)15-22/h2-5,16-18H,6-15H2,1H3/p+1