2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]ethanamide

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide Formula: C28H35N4O2S+ MolecularWeight: 491.6681

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C[NH+]4CCC(CC4)C(=O)N5CCCCCC5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C[NH+]4CCC(CC4)C(=O)N5CCCCCC5

InChI

InChI=1S/C28H34N4O2S/c1-20-6-11-24-25(18-20)35-27(30-24)21-7-9-23(10-8-21)29-26(33)19-31-16-12-22(13-17-31)28(34)32-14-4-2-3-5-15-32/h6-11,18,22H,2-5,12-17,19H2,1H3,(H,29,33)/p+1