2-(1,3-benzothiazol-2-ylmethoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylmethoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylmethoxy)-N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylmethoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylmethoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide Formula: C21H25N4O2S+ MolecularWeight: 397.5138

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)COCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)COCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H24N4O2S/c1-24-10-12-25(13-11-24)17-8-6-16(7-9-17)22-20(26)14-27-15-21-23-18-4-2-3-5-19(18)28-21/h2-9H,10-15H2,1H3,(H,22,26)/p+1