N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C21H25N4OS+ MolecularWeight: 381.5144

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H24N4OS/c1-23(15-20-22-18-9-5-6-10-19(18)27-20)21(26)16-24-11-13-25(14-12-24)17-7-3-2-4-8-17/h2-10H,11-16H2,1H3/p+1