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

Systemtic Name: [(3S)-1-(2-adamantyl)piperidin-1-ium-3-yl]-(3,4-dimethoxyphenyl)methanone Openeye Name: [(3S)-1-(2-adamantyl)piperidin-1-ium-3-yl]-(3,4-dimethoxyphenyl)methanone CAS Name: [(3S)-1-(2-adamantyl)-3-piperidin-1-iumyl]-(3,4-dimethoxyphenyl)methanone IUPAC Name: [(3S)-1-(2-adamantyl)piperidin-1-ium-3-yl]-(3,4-dimethoxyphenyl)methanone Traditional Name: [(3S)-1-(2-adamantyl)piperidin-1-ium-3-yl]-(3,4-dimethoxyphenyl)methanone Formula: C24H34NO3+ MolecularWeight: 384.53166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C2CCC[NH+](C2)C3C4CC5CC(C4)CC3C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)[C@H]2CCC[NH+](C2)C3C4CC5CC(C4)CC3C5)OC

InChI

InChI=1S/C24H33NO3/c1-27-21-6-5-17(13-22(21)28-2)24(26)18-4-3-7-25(14-18)23-19-9-15-8-16(11-19)12-20(23)10-15/h5-6,13,15-16,18-20,23H,3-4,7-12,14H2,1-2H3/p+1/t15?,16?,18-,19?,20?,23?/m0/s1