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

Systemtic Name: 1-[2-[1-adamantyl-[(4-chlorophenyl)methyl]amino]-2-oxidanylidene-ethyl]-N-methyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[1-adamantyl-[(4-chlorophenyl)methyl]amino]-2-oxo-ethyl]-N-methyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[1-adamantyl-[(4-chlorophenyl)methyl]amino]-2-oxoethyl]-N-methyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[1-adamantyl-[(4-chlorophenyl)methyl]amino]-2-oxoethyl]-N-methylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[1-adamantyl-(4-chlorobenzyl)amino]-2-keto-ethyl]-N-methyl-piperidin-1-ium-4-carboxamide Formula: C26H37ClN3O2+ MolecularWeight: 459.04388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36ClN3O2/c1-28-25(32)22-6-8-29(9-7-22)17-24(31)30(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,(H,28,32)/p+1