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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-[[2,6-di(propan-2-yl)phenyl]amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-(2,6-diisopropylanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-(2,6-diisopropylanilino)-2-keto-ethyl]-methyl-ammonium Formula: C23H30N3OS+ MolecularWeight: 396.5688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3OS/c1-15(2)17-9-8-10-18(16(3)4)23(17)25-21(27)13-26(5)14-22-24-19-11-6-7-12-20(19)28-22/h6-12,15-16H,13-14H2,1-5H3,(H,25,27)/p+1