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

Systemtic Name: [(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-[(4-methyl-2-oxidanyl-5-propan-2-yl-phenyl)methyl]azanium Openeye Name: [(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-[(2-hydroxy-5-isopropyl-4-methyl-phenyl)methyl]-methyl-ammonium CAS Name: [(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-[(2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl]-methylammonium IUPAC Name: [(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-[(2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl]-methylazanium Traditional Name: [(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-(2-hydroxy-5-isopropyl-4-methyl-benzyl)-methyl-ammonium Formula: C21H27N2OS+ MolecularWeight: 355.51688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(C)C)C[NH+](C)C(C)C2=NC3=CC=CC=C3S2)O

Isomeric SMILES

CC1=CC(=C(C=C1C(C)C)C[NH+](C)[C@H](C)C2=NC3=CC=CC=C3S2)O

InChI

InChI=1S/C21H26N2OS/c1-13(2)17-11-16(19(24)10-14(17)3)12-23(5)15(4)21-22-18-8-6-7-9-20(18)25-21/h6-11,13,15,24H,12H2,1-5H3/p+1/t15-/m1/s1