4-oxidanylidene-N-[3-oxidanylidene-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethylamino]propyl]-4-thiophen-2-yl-butanamide

Systemtic Name: 4-oxidanylidene-N-[3-oxidanylidene-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethylamino]propyl]-4-thiophen-2-yl-butanamide Openeye Name: 4-oxo-N-[3-oxo-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethylamino]propyl]-4-(2-thienyl)butanamide CAS Name: 4-oxo-N-[3-oxo-3-[2-(4-phenyl-1-piperazin-1-iumyl)ethylamino]propyl]-4-thiophen-2-ylbutanamide IUPAC Name: 4-oxo-N-[3-oxo-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethylamino]propyl]-4-thiophen-2-ylbutanamide Traditional Name: 4-keto-N-[3-keto-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethylamino]propyl]-4-(2-thienyl)butyramide Formula: C23H31N4O3S+ MolecularWeight: 443.58224

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCNC(=O)CCNC(=O)CCC(=O)C2=CC=CS2)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCNC(=O)CCNC(=O)CCC(=O)C2=CC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C23H30N4O3S/c28-20(21-7-4-18-31-21)8-9-22(29)24-11-10-23(30)25-12-13-26-14-16-27(17-15-26)19-5-2-1-3-6-19/h1-7,18H,8-17H2,(H,24,29)(H,25,30)/p+1