N-methyl-N-[2-[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]thiophene-2-sulfonamide

Systemtic Name: N-methyl-N-[2-[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]thiophene-2-sulfonamide Openeye Name: N-[2-[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazin-1-yl]-2-oxo-ethyl]-N-methyl-thiophene-2-sulfonamide CAS Name: N-methyl-N-[2-[4-(6-methyl-2-propan-2-yl-4-pyrimidin-3-iumyl)-1-piperazinyl]-2-oxoethyl]-2-thiophenesulfonamide IUPAC Name: N-methyl-N-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-3-ium-4-yl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide Traditional Name: N-[2-[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazino]-2-keto-ethyl]-N-methyl-thiophene-2-sulfonamide Formula: C19H28N5O3S2+ MolecularWeight: 438.58732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCN(CC2)C(=O)CN(C)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCN(CC2)C(=O)CN(C)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C19H27N5O3S2/c1-14(2)19-20-15(3)12-16(21-19)23-7-9-24(10-8-23)17(25)13-22(4)29(26,27)18-6-5-11-28-18/h5-6,11-12,14H,7-10,13H2,1-4H3/p+1