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

Systemtic Name: N-[2-(azepan-1-yl)phenyl]-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-[2-(azepan-1-yl)phenyl]-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetamide CAS Name: N-[2-(1-azepanyl)phenyl]-2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]acetamide IUPAC Name: N-[2-(azepan-1-yl)phenyl]-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-[2-(azepan-1-yl)phenyl]-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetamide Formula: C26H33N4OS+ MolecularWeight: 449.63142

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=CC=C2NC(=O)C[NH+]3CCC(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCCN(CC1)C2=CC=CC=C2NC(=O)C[NH+]3CCC(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H32N4OS/c31-25(27-21-9-3-5-11-23(21)30-15-7-1-2-8-16-30)19-29-17-13-20(14-18-29)26-28-22-10-4-6-12-24(22)32-26/h3-6,9-12,20H,1-2,7-8,13-19H2,(H,27,31)/p+1