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

Systemtic Name: methyl 1-[2-[1-adamantyl-[(4-chlorophenyl)methyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-[1-adamantyl-[(4-chlorophenyl)methyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[1-adamantyl-[(4-chlorophenyl)methyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[1-adamantyl-[(4-chlorophenyl)methyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[1-adamantyl-(4-chlorobenzyl)amino]-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C26H36ClN2O3+ MolecularWeight: 460.02864

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC(=O)N(CC2=CC=C(C=C2)Cl)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC(=O)N(CC2=CC=C(C=C2)Cl)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H35ClN2O3/c1-32-25(31)22-6-8-28(9-7-22)17-24(30)29(16-18-2-4-23(27)5-3-18)26-13-19-10-20(14-26)12-21(11-19)15-26/h2-5,19-22H,6-17H2,1H3/p+1