2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-ium-1-yl]-N-phenethyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-ium-1-yl]-N-phenethyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazin-1-ium-1-yl]-N-phenethyl-acetamide CAS Name: 2-[4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1-piperazin-1-iumyl]-N-phenethyl-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-ium-1-yl]-N-phenethylacetamide Traditional Name: N-benzyl-2-[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazin-1-ium-1-yl]-N-phenethyl-acetamide Formula: C26H33N4O4S+ MolecularWeight: 497.62962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H32N4O4S/c1-21-26(22(2)34-27-21)35(32,33)30-17-15-28(16-18-30)20-25(31)29(19-24-11-7-4-8-12-24)14-13-23-9-5-3-6-10-23/h3-12H,13-20H2,1-2H3/p+1