1,3-benzothiazol-2-ylmethyl-methyl-[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-(2-isopropyl-6-methyl-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-(2-isopropyl-6-methyl-anilino)-2-keto-ethyl]-methyl-ammonium Formula: C21H26N3OS+ MolecularWeight: 368.51564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2

InChI

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