1,3-benzothiazol-2-ylmethyl-methyl-[2-oxidanylidene-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxidanylidene-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[[(1R)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-keto-2-[[(1R)-1-methyl-3-phenyl-propyl]amino]ethyl]-methyl-ammonium Formula: C21H26N3OS+ MolecularWeight: 368.51564

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H25N3OS/c1-16(12-13-17-8-4-3-5-9-17)22-20(25)14-24(2)15-21-23-18-10-6-7-11-19(18)26-21/h3-11,16H,12-15H2,1-2H3,(H,22,25)/p+1/t16-/m1/s1