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

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-methyl-N-[(3-methyl-2-thienyl)methyl]acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-methyl-N-[(3-methyl-2-thiophenyl)methyl]acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-methyl-N-[(3-methyl-2-thienyl)methyl]acetamide Formula: C21H26N3OS2+ MolecularWeight: 400.58064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CN(C)C(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(SC=C1)CN(C)C(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H25N3OS2/c1-15-9-12-26-19(15)13-23(2)20(25)14-24-10-7-16(8-11-24)21-22-17-5-3-4-6-18(17)27-21/h3-6,9,12,16H,7-8,10-11,13-14H2,1-2H3/p+1