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2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)ethanamide

2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)ethanamide

Systemtic Name:2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)ethanamide
Openeye Name:2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-methyl-N-(3-thienylmethyl)acetamide
CAS Name:2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-1-iumyl]-N-methyl-N-(3-thiophenylmethyl)acetamide
IUPAC Name:2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
Traditional Name:2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-methyl-N-(3-thenyl)acetamide
Formula: C20H25N4OS2+
MolecularWeight: 401.5687
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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CSC=C1)C(=O)C[NH+]2CCN(CC2)CC3=NC4=CC=CC=C4S3


Isomeric SMILES

CN(CC1=CSC=C1)C(=O)C[NH+]2CCN(CC2)CC3=NC4=CC=CC=C4S3


InChI

InChI=1S/C20H24N4OS2/c1-22(12-16-6-11-26-15-16)20(25)14-24-9-7-23(8-10-24)13-19-21-17-4-2-3-5-18(17)27-19/h2-6,11,15H,7-10,12-14H2,1H3/p+1


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