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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]propanamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]propanamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]propanamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]propanamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]propionamide Formula: C23H29N4OS+ MolecularWeight: 409.56756

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)CCC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)CCC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C23H28N4OS/c1-3-26-12-14-27(15-13-26)18-8-9-19(17(2)16-18)24-22(28)10-11-23-25-20-6-4-5-7-21(20)29-23/h4-9,16H,3,10-15H2,1-2H3,(H,24,28)/p+1