N-(1-adamantyl)-1-[(3-methylphenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(1-adamantyl)-1-[(3-methylphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(1-adamantyl)-1-(m-tolylmethyl)piperidin-1-ium-4-carboxamide CAS Name: N-(1-adamantyl)-1-[(3-methylphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(1-adamantyl)-1-[(3-methylphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(1-adamantyl)-1-(3-methylbenzyl)piperidin-1-ium-4-carboxamide Formula: C24H35N2O+ MolecularWeight: 367.5475

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H34N2O/c1-17-3-2-4-18(9-17)16-26-7-5-22(6-8-26)23(27)25-24-13-19-10-20(14-24)12-21(11-19)15-24/h2-4,9,19-22H,5-8,10-16H2,1H3,(H,25,27)/p+1