N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(3-tert-butylisoxazol-5-yl)acetamide CAS Name: N-(3-tert-butyl-5-isoxazolyl)-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide Traditional Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(3-tert-butylisoxazol-5-yl)acetamide Formula: C20H30N4O2+2 MolecularWeight: 358.4778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NOC(=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NOC(=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H28N4O2/c1-20(2,3)17-13-19(26-22-17)21-18(25)15-24-11-9-23(10-12-24)14-16-7-5-4-6-8-16/h4-8,13H,9-12,14-15H2,1-3H3,(H,21,25)/p+2