4-(2,5-dimethylthiophen-3-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-oxidanylidene-butanamide

Systemtic Name: 4-(2,5-dimethylthiophen-3-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-oxidanylidene-butanamide Openeye Name: 4-(2,5-dimethyl-3-thienyl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-oxo-butanamide CAS Name: 4-(2,5-dimethyl-3-thiophenyl)-N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-4-oxobutanamide IUPAC Name: 4-(2,5-dimethylthiophen-3-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-oxobutanamide Traditional Name: 4-(2,5-dimethyl-3-thienyl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-keto-butyramide Formula: C22H30N3O2S+ MolecularWeight: 400.5575

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCC(=O)C3=C(SC(=C3)C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCC(=O)C3=C(SC(=C3)C)C

InChI

InChI=1S/C22H29N3O2S/c1-4-24-11-13-25(14-12-24)19-7-5-18(6-8-19)23-22(27)10-9-21(26)20-15-16(2)28-17(20)3/h5-8,15H,4,9-14H2,1-3H3,(H,23,27)/p+1