N-ethyl-6-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidin-3-ium-4-amine

Systemtic Name: N-ethyl-6-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidin-3-ium-4-amine Openeye Name: N-ethyl-6-methyl-2-[4-(2-thienylsulfonyl)piperazin-1-yl]pyrimidin-3-ium-4-amine CAS Name: N-ethyl-6-methyl-2-(4-thiophen-2-ylsulfonyl-1-piperazinyl)-4-pyrimidin-3-iumamine IUPAC Name: N-ethyl-6-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrimidin-3-ium-4-amine Traditional Name: ethyl-[6-methyl-2-[4-(2-thienylsulfonyl)piperazino]pyrimidin-3-ium-4-yl]amine Formula: C15H22N5O2S2+ MolecularWeight: 368.49748

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=[NH+]C(=NC(=C1)C)N2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CCNC1=[NH+]C(=NC(=C1)C)N2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C15H21N5O2S2/c1-3-16-13-11-12(2)17-15(18-13)19-6-8-20(9-7-19)24(21,22)14-5-4-10-23-14/h4-5,10-11H,3,6-9H2,1-2H3,(H,16,17,18)/p+1