1-methyl-4-[4-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]sulfonyl-pyrrole-2-carboxamide

Systemtic Name: 1-methyl-4-[4-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]sulfonyl-pyrrole-2-carboxamide Openeye Name: 1-methyl-4-[4-[2-[methyl(3-thienylmethyl)amino]-2-oxo-ethyl]piperazin-4-ium-1-yl]sulfonyl-pyrrole-2-carboxamide CAS Name: 1-methyl-4-[[4-[2-[methyl(3-thiophenylmethyl)amino]-2-oxoethyl]-1-piperazin-4-iumyl]sulfonyl]-2-pyrrolecarboxamide IUPAC Name: 1-methyl-4-[4-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperazin-4-ium-1-yl]sulfonylpyrrole-2-carboxamide Traditional Name: 4-[4-[2-keto-2-[methyl(3-thenyl)amino]ethyl]piperazin-4-ium-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C18H26N5O4S2+ MolecularWeight: 440.56014

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N(C)CC3=CSC=C3

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N(C)CC3=CSC=C3

InChI

InChI=1S/C18H25N5O4S2/c1-20-11-15(9-16(20)18(19)25)29(26,27)23-6-4-22(5-7-23)12-17(24)21(2)10-14-3-8-28-13-14/h3,8-9,11,13H,4-7,10,12H2,1-2H3,(H2,19,25)/p+1