N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-pyrrolidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-pyrrolidin-1-ium-1-yl-ethanamide Openeye Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-pyrrolidin-1-ium-1-yl-acetamide CAS Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(1-pyrrolidin-1-iumyl)acetamide IUPAC Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-pyrrolidin-1-ium-1-ylacetamide Traditional Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-pyrrolidin-1-ium-1-yl-acetamide Formula: C20H22N3OS+ MolecularWeight: 352.47318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C[NH+]4CCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C[NH+]4CCCC4

InChI

InChI=1S/C20H21N3OS/c1-14-4-9-17-18(12-14)25-20(22-17)15-5-7-16(8-6-15)21-19(24)13-23-10-2-3-11-23/h4-9,12H,2-3,10-11,13H2,1H3,(H,21,24)/p+1