N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-5-oxidanylidene-5-thiophen-2-yl-pentanamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-5-oxidanylidene-5-thiophen-2-yl-pentanamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-5-oxo-5-(2-thienyl)pentanamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]-5-oxo-5-thiophen-2-ylpentanamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]-5-oxo-5-thiophen-2-ylpentanamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-5-keto-5-(2-thienyl)valeramide 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)CCCC(=O)C3=CC=CS3)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)CCCC(=O)C3=CC=CS3)C

InChI

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