N-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]adamantane-1-carboxamide

Systemtic Name: N-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]adamantane-1-carboxamide Openeye Name: N-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxo-propyl]adamantane-1-carboxamide CAS Name: N-[3-oxo-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]propyl]-1-adamantanecarboxamide IUPAC Name: N-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxopropyl]adamantane-1-carboxamide Traditional Name: N-[3-(4-benzylpiperazin-4-ium-1-yl)-3-keto-propyl]adamantane-1-carboxamide Formula: C25H36N3O2+ MolecularWeight: 410.57224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35N3O2/c29-23(28-10-8-27(9-11-28)18-19-4-2-1-3-5-19)6-7-26-24(30)25-15-20-12-21(16-25)14-22(13-20)17-25/h1-5,20-22H,6-18H2,(H,26,30)/p+1