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

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

Systemtic Name:2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]ethanamide
Openeye Name:2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-methyl-N-[(3-methyl-2-thienyl)methyl]acetamide
CAS Name:2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-1-iumyl]-N-methyl-N-[(3-methyl-2-thiophenyl)methyl]acetamide
IUPAC Name:2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
Traditional Name:2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-methyl-N-[(3-methyl-2-thienyl)methyl]acetamide
Formula: C21H27N4OS2+
MolecularWeight: 415.59528
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C21H26N4OS2/c1-16-7-12-27-19(16)13-23(2)21(26)15-25-10-8-24(9-11-25)14-20-22-17-5-3-4-6-18(17)28-20/h3-7,12H,8-11,13-15H2,1-2H3/p+1


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