4-[4-[2-[cyclopropyl(ethyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[4-[2-[cyclopropyl(ethyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[4-[2-[cyclopropyl(ethyl)amino]-2-oxo-ethyl]piperazin-4-ium-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-1-piperazin-4-iumyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]piperazin-4-ium-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-[4-[2-[cyclopropyl(ethyl)amino]-2-keto-ethyl]piperazin-4-ium-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C17H28N5O4S+ MolecularWeight: 398.50032

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CC1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

Isomeric SMILES

CCN(C1CC1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

InChI

InChI=1S/C17H27N5O4S/c1-3-22(13-4-5-13)16(23)12-20-6-8-21(9-7-20)27(25,26)14-10-15(17(18)24)19(2)11-14/h10-11,13H,3-9,12H2,1-2H3,(H2,18,24)/p+1