4-(1,3-benzothiazol-2-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]butanamide Openeye Name: 4-(1,3-benzothiazol-2-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]butanamide CAS Name: 4-(1,3-benzothiazol-2-yl)-N-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]butanamide IUPAC Name: 4-(1,3-benzothiazol-2-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]butanamide Traditional Name: 4-(1,3-benzothiazol-2-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]butyramide Formula: C24H31N4OS+ MolecularWeight: 423.59414

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)CCCC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)CCCC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C24H30N4OS/c1-3-27-13-15-28(16-14-27)19-11-12-20(18(2)17-19)25-23(29)9-6-10-24-26-21-7-4-5-8-22(21)30-24/h4-5,7-8,11-12,17H,3,6,9-10,13-16H2,1-2H3,(H,25,29)/p+1