1-[2-[1-adamantyl-[(4-chlorophenyl)methyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[1-adamantyl-[(4-chlorophenyl)methyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[1-adamantyl-[(4-chlorophenyl)methyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[1-adamantyl-[(4-chlorophenyl)methyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[1-adamantyl-[(4-chlorophenyl)methyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[1-adamantyl-(4-chlorobenzyl)amino]-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C25H35ClN3O2+ MolecularWeight: 445.0173

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)CC(=O)N(CC2=CC=C(C=C2)Cl)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)CC(=O)N(CC2=CC=C(C=C2)Cl)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H34ClN3O2/c26-22-3-1-17(2-4-22)15-29(23(30)16-28-7-5-21(6-8-28)24(27)31)25-12-18-9-19(13-25)11-20(10-18)14-25/h1-4,18-21H,5-16H2,(H2,27,31)/p+1