(5S,7R)-N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-oxidanyl-adamantane-1-carboxamide

Systemtic Name: (5S,7R)-N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-oxidanyl-adamantane-1-carboxamide Openeye Name: (5S,7R)-N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-hydroxy-adamantane-1-carboxamide CAS Name: (5S,7R)-N-[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]-3-hydroxy-1-adamantanecarboxamide IUPAC Name: (5S,7R)-N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-hydroxyadamantane-1-carboxamide Traditional Name: (5S,7R)-N-[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]-3-hydroxy-adamantane-1-carboxamide Formula: C23H32ClN2O2+ MolecularWeight: 403.96538

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C23CC4CC(C2)CC(C4)(C3)O)CC5=CC=C(C=C5)Cl

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)O)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C23H31ClN2O2/c24-19-3-1-16(2-4-19)14-26-7-5-20(6-8-26)25-21(27)22-10-17-9-18(11-22)13-23(28,12-17)15-22/h1-4,17-18,20,28H,5-15H2,(H,25,27)/p+1/t17-,18+,22?,23?