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

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-phenyl-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-phenyl-N-prop-2-enylacetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-phenyl-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-phenyl-acetamide Formula: C23H26N3OS+ MolecularWeight: 392.53704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3OS/c1-2-14-26(19-8-4-3-5-9-19)22(27)17-25-15-12-18(13-16-25)23-24-20-10-6-7-11-21(20)28-23/h2-11,18H,1,12-17H2/p+1