(E)-tert-butyl-[[5-(tert-butylamino)-3-methyl-4-phenyl-1H-pyrrol-2-yl]methylidene]azanium chloride

Systemtic Name: (E)-tert-butyl-[[5-(tert-butylamino)-3-methyl-4-phenyl-1H-pyrrol-2-yl]methylidene]azanium chloride Openeye Name: (E)-tert-butyl-[[5-(tert-butylamino)-3-methyl-4-phenyl-1H-pyrrol-2-yl]methylene]ammonium chloride CAS Name: (E)-tert-butyl-[[5-(tert-butylamino)-3-methyl-4-phenyl-1H-pyrrol-2-yl]methylidene]ammonium chloride IUPAC Name: (E)-tert-butyl-[[5-(tert-butylamino)-3-methyl-4-phenyl-1H-pyrrol-2-yl]methylidene]azanium chloride Traditional Name: (E)-tert-butyl-[[5-(tert-butylamino)-3-methyl-4-phenyl-1H-pyrrol-2-yl]methylene]ammonium chloride Formula: C20H30ClN3 MolecularWeight: 347.9253

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C2=CC=CC=C2)NC(C)(C)C)C=[NH+]C(C)(C)C.[Cl-]

Isomeric SMILES

CC1=C(NC(=C1C2=CC=CC=C2)NC(C)(C)C)/C=[NH+]/C(C)(C)C.[Cl-]

InChI

InChI=1S/C20H29N3.ClH/c1-14-16(13-21-19(2,3)4)22-18(23-20(5,6)7)17(14)15-11-9-8-10-12-15;/h8-13,22-23H,1-7H3;1H/b21-13+;