5-(4-methylpiperazin-4-ium-1-yl)-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-(4-pyrrolidin-1-ylsulfonylphenyl)oxazole-4-carbonitrile CAS Name: 5-(4-methyl-1-piperazin-4-iumyl)-2-[4-(1-pyrrolidinylsulfonyl)phenyl]-4-oxazolecarbonitrile IUPAC Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-(4-pyrrolidinosulfonylphenyl)oxazole-4-carbonitrile Formula: C19H24N5O3S+ MolecularWeight: 402.49056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(N=C(O2)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C#N

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(N=C(O2)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C#N

InChI

InChI=1S/C19H23N5O3S/c1-22-10-12-23(13-11-22)19-17(14-20)21-18(27-19)15-4-6-16(7-5-15)28(25,26)24-8-2-3-9-24/h4-7H,2-3,8-13H2,1H3/p+1