N-[2-[[2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]thiophene-2-carboxamide

Systemtic Name: N-[2-[[2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]thiophene-2-carboxamide Openeye Name: N-[2-[[2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]-2-oxo-ethyl]amino]-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: N-[2-[[2-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propylamino]-2-oxoethyl]amino]-2-oxoethyl]-2-thiophenecarboxamide IUPAC Name: N-[2-[[2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide Traditional Name: N-[2-keto-2-[[2-keto-2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]ethyl]amino]ethyl]thiophene-2-carboxamide Formula: C18H29N4O3S+ MolecularWeight: 381.51286

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)CNC(=O)CNC(=O)C2=CC=CS2

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)CNC(=O)CNC(=O)C2=CC=CS2

InChI

InChI=1S/C18H28N4O3S/c1-14-6-2-3-9-22(14)10-5-8-19-16(23)12-20-17(24)13-21-18(25)15-7-4-11-26-15/h4,7,11,14H,2-3,5-6,8-10,12-13H2,1H3,(H,19,23)(H,20,24)(H,21,25)/p+1/t14-/m0/s1