N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C20H23N4OS+ MolecularWeight: 367.48782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C20H22N4OS/c1-15-7-8-17-18(13-15)26-20(21-17)22-19(25)14-23-9-11-24(12-10-23)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,21,22,25)/p+1