N-(4-methyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-2-pyrrolidin-1-ium-1-yl-ethanamide

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-2-pyrrolidin-1-ium-1-yl-ethanamide Openeye Name: N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-2-pyrrolidin-1-ium-1-yl-acetamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-2-(1-pyrrolidin-1-iumyl)acetamide IUPAC Name: N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-2-pyrrolidin-1-ium-1-ylacetamide Traditional Name: N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-2-pyrrolidin-1-ium-1-yl-acetamide Formula: C21H24N3OS+ MolecularWeight: 366.49976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)C[NH+]4CCCC4

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)C[NH+]4CCCC4

InChI

InChI=1S/C21H23N3OS/c1-16-8-7-11-18-20(16)22-21(26-18)24(14-17-9-3-2-4-10-17)19(25)15-23-12-5-6-13-23/h2-4,7-11H,5-6,12-15H2,1H3/p+1