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

Systemtic Name: [4-[(4-methyl-2-oxidanyl-5-propan-2-yl-phenyl)methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[(2-hydroxy-5-isopropyl-4-methyl-phenyl)methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone CAS Name: [4-[(2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]-thiophen-2-ylmethanone IUPAC Name: [4-[(2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-(2-hydroxy-5-isopropyl-4-methyl-benzyl)piperazin-4-ium-1-yl]-(2-thienyl)methanone Formula: C20H27N2O2S+ MolecularWeight: 359.50558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O2S/c1-14(2)17-12-16(18(23)11-15(17)3)13-21-6-8-22(9-7-21)20(24)19-5-4-10-25-19/h4-5,10-12,14,23H,6-9,13H2,1-3H3/p+1