[4-[(4,5-dimethyl-2-oxidanyl-phenyl)methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[(4,5-dimethyl-2-oxidanyl-phenyl)methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[(2-hydroxy-4,5-dimethyl-phenyl)methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone CAS Name: [4-[(2-hydroxy-4,5-dimethylphenyl)methyl]-1-piperazin-4-iumyl]-thiophen-2-ylmethanone IUPAC Name: [4-[(2-hydroxy-4,5-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-(2-hydroxy-4,5-dimethyl-benzyl)piperazin-4-ium-1-yl]-(2-thienyl)methanone Formula: C18H23N2O2S+ MolecularWeight: 331.45242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)O)C[NH+]2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC(=C(C=C1C)O)C[NH+]2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C18H22N2O2S/c1-13-10-15(16(21)11-14(13)2)12-19-5-7-20(8-6-19)18(22)17-4-3-9-23-17/h3-4,9-11,21H,5-8,12H2,1-2H3/p+1