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

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: N-allyl-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-thienylmethyl)acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide Traditional Name: N-allyl-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-thenyl)acetamide Formula: C22H26N3OS2+ MolecularWeight: 412.59134

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=CC=CS1)C(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C=CCN(CC1=CC=CS1)C(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H25N3OS2/c1-2-11-25(15-18-6-5-14-27-18)21(26)16-24-12-9-17(10-13-24)22-23-19-7-3-4-8-20(19)28-22/h2-8,14,17H,1,9-13,15-16H2/p+1