N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]adamantane-1-carboxamide chloride

Systemtic Name: N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]adamantane-1-carboxamide chloride Openeye Name: N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]adamantane-1-carboxamide chloride CAS Name: N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-1-adamantanecarboxamide chloride IUPAC Name: N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]adamantane-1-carboxamide chloride Traditional Name: N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]adamantane-1-carboxamide chloride Formula: C23H34ClN3O MolecularWeight: 403.98856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCNC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5.[Cl-]

Isomeric SMILES

C1CN(CC[NH+]1CCNC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C23H33N3O.ClH/c27-22(23-15-18-12-19(16-23)14-20(13-18)17-23)24-6-7-25-8-10-26(11-9-25)21-4-2-1-3-5-21;/h1-5,18-20H,6-17H2,(H,24,27);1H