N-(1-adamantyl)-N-(2-cyanoethyl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(1-adamantyl)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2-cyanoethyl)acetamide CAS Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(1-adamantyl)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2-cyanoethyl)acetamide Traditional Name: N-(1-adamantyl)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2-cyanoethyl)acetamide Formula: C26H38N4O+2 MolecularWeight: 422.60612

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC(=O)N(CCC#N)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC(=O)N(CCC#N)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H36N4O/c27-7-4-8-30(26-16-22-13-23(17-26)15-24(14-22)18-26)25(31)20-29-11-9-28(10-12-29)19-21-5-2-1-3-6-21/h1-3,5-6,22-24H,4,8-20H2/p+2