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

Systemtic Name: N-[4-oxidanylidene-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]butyl]adamantane-1-carboxamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-oxo-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]butyl]-1-adamantanecarboxamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)-4-keto-butyl]adamantane-1-carboxamide Formula: C26H38N3O2+ MolecularWeight: 424.59882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37N3O2/c30-24(29-11-9-28(10-12-29)19-20-5-2-1-3-6-20)7-4-8-27-25(31)26-16-21-13-22(17-26)15-23(14-21)18-26/h1-3,5-6,21-23H,4,7-19H2,(H,27,31)/p+1