[(2R,3R)-1-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-methyl-1-oxidanylidene-pentan-2-yl]azanium

Systemtic Name: [(2R,3R)-1-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-methyl-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1R,2R)-1-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]-2-methyl-butyl]ammonium CAS Name: [(2R,3R)-1-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-methyl-1-oxopentan-2-yl]ammonium IUPAC Name: [(2R,3R)-1-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-methyl-1-oxopentan-2-yl]azanium Traditional Name: [(1R,2R)-1-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]-2-methyl-butyl]ammonium Formula: C15H22N3O2S+ MolecularWeight: 308.41908

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=NC2=C(S1)C=C(C=C2)OCC)[NH3+]

Isomeric SMILES

CC[C@@H](C)[C@H](C(=O)NC1=NC2=C(S1)C=C(C=C2)OCC)[NH3+]

InChI

InChI=1S/C15H21N3O2S/c1-4-9(3)13(16)14(19)18-15-17-11-7-6-10(20-5-2)8-12(11)21-15/h6-9,13H,4-5,16H2,1-3H3,(H,17,18,19)/p+1/t9-,13-/m1/s1