[4-(2-adamantyl)piperazin-4-ium-1-yl]-(3,4-dimethoxyphenyl)methanone

Systemtic Name: [4-(2-adamantyl)piperazin-4-ium-1-yl]-(3,4-dimethoxyphenyl)methanone Openeye Name: [4-(2-adamantyl)piperazin-4-ium-1-yl]-(3,4-dimethoxyphenyl)methanone CAS Name: [4-(2-adamantyl)-1-piperazin-4-iumyl]-(3,4-dimethoxyphenyl)methanone IUPAC Name: [4-(2-adamantyl)piperazin-4-ium-1-yl]-(3,4-dimethoxyphenyl)methanone Traditional Name: [4-(2-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)C3C4CC5CC(C4)CC3C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)C3C4CC5CC(C4)CC3C5)OC

InChI

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