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

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-phenyl-N-propan-2-yl-ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-isopropyl-N-phenyl-acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-phenyl-N-propan-2-ylacetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-phenyl-N-propan-2-ylacetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-isopropyl-N-phenyl-acetamide Formula: C23H28N3OS+ MolecularWeight: 394.55292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3OS/c1-17(2)26(19-8-4-3-5-9-19)22(27)16-25-14-12-18(13-15-25)23-24-20-10-6-7-11-21(20)28-23/h3-11,17-18H,12-16H2,1-2H3/p+1