(2S)-1-(2-adamantyl)-N-(2,4,6-trimethylphenyl)piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-(2-adamantyl)-N-(2,4,6-trimethylphenyl)piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-(2-adamantyl)-N-(2,4,6-trimethylphenyl)piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-(2-adamantyl)-N-(2,4,6-trimethylphenyl)-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-(2-adamantyl)-N-(2,4,6-trimethylphenyl)piperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-(2-adamantyl)-N-mesityl-piperidin-1-ium-2-carboxamide Formula: C25H37N2O+ MolecularWeight: 381.57408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C2CCCC[NH+]2C3C4CC5CC(C4)CC3C5)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)[C@@H]2CCCC[NH+]2C3C4CC5CC(C4)CC3C5)C

InChI

InChI=1S/C25H36N2O/c1-15-8-16(2)23(17(3)9-15)26-25(28)22-6-4-5-7-27(22)24-20-11-18-10-19(13-20)14-21(24)12-18/h8-9,18-22,24H,4-7,10-14H2,1-3H3,(H,26,28)/p+1/t18?,19?,20?,21?,22-,24?/m0/s1