3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(3,5-dimethylisoxazol-4-yl)propan-1-one CAS Name: 3-(3,5-dimethyl-4-isoxazolyl)-1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one Traditional Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(3,5-dimethylisoxazol-4-yl)propan-1-one Formula: C25H30N3O2+ MolecularWeight: 404.5246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O2/c1-19-23(20(2)30-26-19)13-14-24(29)27-15-17-28(18-16-27)25(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,25H,13-18H2,1-2H3/p+1