N-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]-1,3-benzothiazol-2-amine

Systemtic Name: N-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]-1,3-benzothiazol-2-amine Openeye Name: N-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]-1,3-benzothiazol-2-amine CAS Name: N-[(Z)-1-[4-methoxy-3-(1-pyrrolidin-1-iumylmethyl)phenyl]ethylideneamino]-1,3-benzothiazol-2-amine IUPAC Name: N-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]-1,3-benzothiazol-2-amine Traditional Name: 1,3-benzothiazol-2-yl-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]amine Formula: C21H25N4OS+ MolecularWeight: 381.5144

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=NC2=CC=CC=C2S1)C3=CC(=C(C=C3)OC)C[NH+]4CCCC4

Isomeric SMILES

C/C(=N/NC1=NC2=CC=CC=C2S1)/C3=CC(=C(C=C3)OC)C[NH+]4CCCC4

InChI

InChI=1S/C21H24N4OS/c1-15(23-24-21-22-18-7-3-4-8-20(18)27-21)16-9-10-19(26-2)17(13-16)14-25-11-5-6-12-25/h3-4,7-10,13H,5-6,11-12,14H2,1-2H3,(H,22,24)/p+1/b23-15-