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

Systemtic Name: N-[4-(phenylmethyl)piperazin-4-ium-1-yl]adamantane-1-carboxamide Openeye Name: N-(4-benzylpiperazin-4-ium-1-yl)adamantane-1-carboxamide CAS Name: N-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-adamantanecarboxamide IUPAC Name: N-(4-benzylpiperazin-4-ium-1-yl)adamantane-1-carboxamide Traditional Name: N-(4-benzylpiperazin-4-ium-1-yl)adamantane-1-carboxamide Formula: C22H32N3O+ MolecularWeight: 354.50898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O/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)/p+1