2-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-ium-1-yl]methyl]indolizine-1-carbonitrile

Systemtic Name: 2-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-ium-1-yl]methyl]indolizine-1-carbonitrile Openeye Name: 2-[[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazin-1-ium-1-yl]methyl]indolizine-1-carbonitrile CAS Name: 2-[[4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1-piperazin-1-iumyl]methyl]-1-indolizinecarbonitrile IUPAC Name: 2-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-ium-1-yl]methyl]indolizine-1-carbonitrile Traditional Name: 2-[[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazin-1-ium-1-yl]methyl]indolizine-1-carbonitrile Formula: C19H22N5O3S+ MolecularWeight: 400.47468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CN4C=CC=CC4=C3C#N

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CN4C=CC=CC4=C3C#N

InChI

InChI=1S/C19H21N5O3S/c1-14-19(15(2)27-21-14)28(25,26)24-9-7-22(8-10-24)12-16-13-23-6-4-3-5-18(23)17(16)11-20/h3-6,13H,7-10,12H2,1-2H3/p+1