1-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-N-(phenylmethyl)propan-2-imine

Systemtic Name: 1-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-N-(phenylmethyl)propan-2-imine Openeye Name: N-benzyl-1-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)propan-2-imine CAS Name: 1-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-N-(phenylmethyl)-2-propanimine IUPAC Name: N-benzyl-1-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)propan-2-imine Traditional Name: benzyl-[2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-1-methyl-ethylidene]amine Formula: C19H21N2S+ MolecularWeight: 309.44844

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=CC=CC=C21)CC(=NCC3=CC=CC=C3)C

Isomeric SMILES

CC[N+]1=C(SC2=CC=CC=C21)CC(=NCC3=CC=CC=C3)C

InChI

InChI=1S/C19H21N2S/c1-3-21-17-11-7-8-12-18(17)22-19(21)13-15(2)20-14-16-9-5-4-6-10-16/h4-12H,3,13-14H2,1-2H3/q+1