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

Systemtic Name: N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(3-tert-butylisoxazol-5-yl)-2-[4-(o-tolylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(3-tert-butyl-5-isoxazolyl)-2-[4-[(2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(3-tert-butylisoxazol-5-yl)-2-[4-(2-methylbenzyl)piperazine-1,4-diium-1-yl]acetamide Formula: C21H32N4O2+2 MolecularWeight: 372.50438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC(=O)NC3=CC(=NO3)C(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC(=O)NC3=CC(=NO3)C(C)(C)C

InChI

InChI=1S/C21H30N4O2/c1-16-7-5-6-8-17(16)14-24-9-11-25(12-10-24)15-19(26)22-20-13-18(23-27-20)21(2,3)4/h5-8,13H,9-12,14-15H2,1-4H3,(H,22,26)/p+2