4-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C12H21N4O3S+ MolecularWeight: 301.38514

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CN(C(=C2)C(=O)N)C

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CN(C(=C2)C(=O)N)C

InChI

InChI=1S/C12H20N4O3S/c1-3-15-4-6-16(7-5-15)20(18,19)10-8-11(12(13)17)14(2)9-10/h8-9H,3-7H2,1-2H3,(H2,13,17)/p+1