(E)-tert-butyl-[[5-(tert-butylamino)-3-phenyl-1H-pyrrol-2-yl]methylidene]azanium chloride

Systemtic Name: (E)-tert-butyl-[[5-(tert-butylamino)-3-phenyl-1H-pyrrol-2-yl]methylidene]azanium chloride Openeye Name: (E)-tert-butyl-[[5-(tert-butylamino)-3-phenyl-1H-pyrrol-2-yl]methylene]ammonium chloride CAS Name: (E)-tert-butyl-[[5-(tert-butylamino)-3-phenyl-1H-pyrrol-2-yl]methylidene]ammonium chloride IUPAC Name: (E)-tert-butyl-[[5-(tert-butylamino)-3-phenyl-1H-pyrrol-2-yl]methylidene]azanium chloride Traditional Name: (E)-tert-butyl-[[5-(tert-butylamino)-3-phenyl-1H-pyrrol-2-yl]methylene]ammonium chloride Formula: C19H28ClN3 MolecularWeight: 333.89872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=CC(=C(N1)C=[NH+]C(C)(C)C)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

CC(C)(C)NC1=CC(=C(N1)/C=[NH+]/C(C)(C)C)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C19H27N3.ClH/c1-18(2,3)20-13-16-15(14-10-8-7-9-11-14)12-17(21-16)22-19(4,5)6;/h7-13,21-22H,1-6H3;1H/b20-13+;