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

Systemtic Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(3,4-dimethoxyphenyl)methanone Openeye Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(3,4-dimethoxyphenyl)methanone CAS Name: [4-(1-adamantyl)-1-piperazin-4-iumyl]-(3,4-dimethoxyphenyl)methanone IUPAC Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(3,4-dimethoxyphenyl)methanone Traditional Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(3,4-dimethoxyphenyl)methanone Formula: C23H33N2O3+ MolecularWeight: 385.51972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4)OC

InChI

InChI=1S/C23H32N2O3/c1-27-20-4-3-19(12-21(20)28-2)22(26)24-5-7-25(8-6-24)23-13-16-9-17(14-23)11-18(10-16)15-23/h3-4,12,16-18H,5-11,13-15H2,1-2H3/p+1