2-[2-[4-[2-oxidanylidene-2-(propylamino)ethyl]piperazin-4-ium-1-yl]ethanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[2-[4-[2-oxidanylidene-2-(propylamino)ethyl]piperazin-4-ium-1-yl]ethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-4-ium-1-yl]acetyl]amino]thiophene-3-carboxamide CAS Name: 2-[[1-oxo-2-[4-[2-oxo-2-(propylamino)ethyl]-1-piperazin-4-iumyl]ethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-4-ium-1-yl]acetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-[4-[2-keto-2-(propylamino)ethyl]piperazin-4-ium-1-yl]acetyl]amino]thiophene-3-carboxamide Formula: C16H26N5O3S+ MolecularWeight: 368.47434

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+]1CCN(CC1)CC(=O)NC2=C(C=CS2)C(=O)N

Isomeric SMILES

CCCNC(=O)C[NH+]1CCN(CC1)CC(=O)NC2=C(C=CS2)C(=O)N

InChI

InChI=1S/C16H25N5O3S/c1-2-4-18-13(22)10-20-5-7-21(8-6-20)11-14(23)19-16-12(15(17)24)3-9-25-16/h3,9H,2,4-8,10-11H2,1H3,(H2,17,24)(H,18,22)(H,19,23)/p+1