N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)-N-(phenylmethyl)ethanamide

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methyl-1-piperazine-1,4-diiumyl)-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide Traditional Name: N-benzyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide Formula: C23H30N4OS+2 MolecularWeight: 410.5755

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)C[NH+]4CC[NH+](CC4)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)C[NH+]4CC[NH+](CC4)C)C

InChI

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