N,N-diethyl-1-methyl-5-[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]carbonyl-pyrrole-3-sulfonamide

Systemtic Name: N,N-diethyl-1-methyl-5-[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]carbonyl-pyrrole-3-sulfonamide Openeye Name: N,N-diethyl-5-[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazine-1-carbonyl]-1-methyl-pyrrole-3-sulfonamide CAS Name: N,N-diethyl-1-methyl-5-[[4-(6-methyl-2-propan-2-yl-4-pyrimidin-3-iumyl)-1-piperazinyl]-oxomethyl]-3-pyrrolesulfonamide IUPAC Name: N,N-diethyl-1-methyl-5-[4-(6-methyl-2-propan-2-ylpyrimidin-3-ium-4-yl)piperazine-1-carbonyl]pyrrole-3-sulfonamide Traditional Name: N,N-diethyl-5-[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazine-1-carbonyl]-1-methyl-pyrrole-3-sulfonamide Formula: C22H35N6O3S+ MolecularWeight: 463.6167

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CN(C(=C1)C(=O)N2CCN(CC2)C3=[NH+]C(=NC(=C3)C)C(C)C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CN(C(=C1)C(=O)N2CCN(CC2)C3=[NH+]C(=NC(=C3)C)C(C)C)C

InChI

InChI=1S/C22H34N6O3S/c1-7-28(8-2)32(30,31)18-14-19(25(6)15-18)22(29)27-11-9-26(10-12-27)20-13-17(5)23-21(24-20)16(3)4/h13-16H,7-12H2,1-6H3/p+1