1,3-benzothiazol-2-ylmethyl-[2-[[2-[(2S)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-[[2-[(2S)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[2-[(1S)-1-methylpropyl]anilino]-2-oxo-ethyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-keto-2-[2-[(1S)-1-methylpropyl]anilino]ethyl]-methyl-ammonium Formula: C21H26N3OS+ MolecularWeight: 368.51564

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1NC(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H25N3OS/c1-4-15(2)16-9-5-6-10-17(16)22-20(25)13-24(3)14-21-23-18-11-7-8-12-19(18)26-21/h5-12,15H,4,13-14H2,1-3H3,(H,22,25)/p+1/t15-/m0/s1