1,3-benzothiazol-2-ylmethyl-methyl-[(4-methyl-2-oxidanyl-5-propan-2-yl-phenyl)methyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(4-methyl-2-oxidanyl-5-propan-2-yl-phenyl)methyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(2-hydroxy-5-isopropyl-4-methyl-phenyl)methyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-(2-hydroxy-5-isopropyl-4-methyl-benzyl)-methyl-ammonium Formula: C20H25N2OS+ MolecularWeight: 341.4903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(C)C)C[NH+](C)CC2=NC3=CC=CC=C3S2)O

Isomeric SMILES

CC1=CC(=C(C=C1C(C)C)C[NH+](C)CC2=NC3=CC=CC=C3S2)O

InChI

InChI=1S/C20H24N2OS/c1-13(2)16-10-15(18(23)9-14(16)3)11-22(4)12-20-21-17-7-5-6-8-19(17)24-20/h5-10,13,23H,11-12H2,1-4H3/p+1