4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole

Systemtic Name: 4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole Openeye Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)sulfonyl-3,5-dimethyl-isoxazole CAS Name: 4-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]sulfonyl]-3,5-dimethylisoxazole IUPAC Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)sulfonyl-3,5-dimethyl-1,2-oxazole Traditional Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)sulfonyl-3,5-dimethyl-isoxazole Formula: C22H26N3O3S+ MolecularWeight: 412.52514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3S/c1-17-22(18(2)28-23-17)29(26,27)25-15-13-24(14-16-25)21(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,21H,13-16H2,1-2H3/p+1