N-[4-(phenylmethyl)piperazin-4-ium-1-yl]adamantane-1-carboxamide chloride

Systemtic Name: N-[4-(phenylmethyl)piperazin-4-ium-1-yl]adamantane-1-carboxamide chloride Openeye Name: N-(4-benzylpiperazin-4-ium-1-yl)adamantane-1-carboxamide chloride CAS Name: N-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-adamantanecarboxamide chloride IUPAC Name: N-(4-benzylpiperazin-4-ium-1-yl)adamantane-1-carboxamide chloride Traditional Name: N-(4-benzylpiperazin-4-ium-1-yl)adamantane-1-carboxamide chloride Formula: C22H32ClN3O MolecularWeight: 389.96198

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)NC(=O)C34CC5CC(C3)CC(C5)C4.[Cl-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)NC(=O)C34CC5CC(C3)CC(C5)C4.[Cl-]

InChI

InChI=1S/C22H31N3O.ClH/c26-21(22-13-18-10-19(14-22)12-20(11-18)15-22)23-25-8-6-24(7-9-25)16-17-4-2-1-3-5-17;/h1-5,18-20H,6-16H2,(H,23,26);1H