2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4,5-dimethyl-phenol

Systemtic Name: 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4,5-dimethyl-phenol Openeye Name: 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4,5-dimethyl-phenol CAS Name: 2-[[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-4,5-dimethylphenol IUPAC Name: 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4,5-dimethylphenol Traditional Name: 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4,5-dimethyl-phenol Formula: C21H25N2OS+ MolecularWeight: 353.501

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=C(C=C1C)O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H24N2OS/c1-14-11-17(19(24)12-15(14)2)13-23-9-7-16(8-10-23)21-22-18-5-3-4-6-20(18)25-21/h3-6,11-12,16,24H,7-10,13H2,1-2H3/p+1