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

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-4-(5-methyl-2-thienyl)-4-oxo-butanamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]-4-(5-methyl-2-thiophenyl)-4-oxobutanamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-4-keto-4-(5-methyl-2-thienyl)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=CC=C(S3)C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)CCC(=O)C3=CC=C(S3)C)C

InChI

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