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

Systemtic Name: 2-[2-[4-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]ethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-[4-[2-(cyclopropylamino)-2-oxo-ethyl]piperazin-4-ium-1-yl]acetyl]amino]thiophene-3-carboxamide CAS Name: 2-[[2-[4-[2-(cyclopropylamino)-2-oxoethyl]-1-piperazin-4-iumyl]-1-oxoethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-4-ium-1-yl]acetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-[4-[2-(cyclopropylamino)-2-keto-ethyl]piperazin-4-ium-1-yl]acetyl]amino]thiophene-3-carboxamide Formula: C16H24N5O3S+ MolecularWeight: 366.45846

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)CC(=O)NC3=C(C=CS3)C(=O)N

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)CC(=O)NC3=C(C=CS3)C(=O)N

InChI

InChI=1S/C16H23N5O3S/c17-15(24)12-3-8-25-16(12)19-14(23)10-21-6-4-20(5-7-21)9-13(22)18-11-1-2-11/h3,8,11H,1-2,4-7,9-10H2,(H2,17,24)(H,18,22)(H,19,23)/p+1