4-oxidanylidene-N-[3-oxidanylidene-3-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]propyl]-4-thiophen-2-yl-butanamide

Systemtic Name: 4-oxidanylidene-N-[3-oxidanylidene-3-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]propyl]-4-thiophen-2-yl-butanamide Openeye Name: 4-oxo-N-[3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]propyl]-4-(2-thienyl)butanamide CAS Name: 4-oxo-N-[3-oxo-3-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]propyl]-4-thiophen-2-ylbutanamide IUPAC Name: 4-oxo-N-[3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]propyl]-4-thiophen-2-ylbutanamide Traditional Name: 4-keto-N-[3-keto-3-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]propyl]-4-(2-thienyl)butyramide Formula: C21H31N4O4S+ MolecularWeight: 435.56024

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)CCNC(=O)CCC(=O)C3=CC=CS3

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)CCNC(=O)CCC(=O)C3=CC=CS3

InChI

InChI=1S/C21H30N4O4S/c26-17(18-4-3-15-30-18)5-6-19(27)22-8-7-20(28)25-13-11-23(12-14-25)16-21(29)24-9-1-2-10-24/h3-4,15H,1-2,5-14,16H2,(H,22,27)/p+1