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

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-(1,3-benzothiazol-2-ylmethyl)-N-methylacetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(1,3-benzothiazol-2-ylmethyl)-N-methylacetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-acetamide Formula: C23H33N4O2S+ MolecularWeight: 429.59872

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)C[NH+]3CCC(CC3)C(=O)N4CCCCCC4

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)C[NH+]3CCC(CC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C23H32N4O2S/c1-25(16-21-24-19-8-4-5-9-20(19)30-21)22(28)17-26-14-10-18(11-15-26)23(29)27-12-6-2-3-7-13-27/h4-5,8-9,18H,2-3,6-7,10-17H2,1H3/p+1