2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone Formula: C20H24N3OS+ MolecularWeight: 354.48906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1)C)C(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=C(N1)C)C(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H23N3OS/c1-13-11-16(14(2)21-13)18(24)12-23-9-7-15(8-10-23)20-22-17-5-3-4-6-19(17)25-20/h3-6,11,15,21H,7-10,12H2,1-2H3/p+1