(5Z)-N-tert-butyl-5-[(tert-butylamino)methylidene]-4-methyl-3-phenyl-1-propan-2-yl-pyrrol-1-ium-2-amine chloride

Systemtic Name: (5Z)-N-tert-butyl-5-[(tert-butylamino)methylidene]-4-methyl-3-phenyl-1-propan-2-yl-pyrrol-1-ium-2-amine chloride Openeye Name: (5Z)-N-tert-butyl-5-[(tert-butylamino)methylene]-1-isopropyl-4-methyl-3-phenyl-pyrrol-1-ium-2-amine chloride CAS Name: (5Z)-N-tert-butyl-5-[(tert-butylamino)methylidene]-4-methyl-3-phenyl-1-propan-2-yl-2-pyrrol-1-iumamine chloride IUPAC Name: (5Z)-N-tert-butyl-5-[(tert-butylamino)methylidene]-4-methyl-3-phenyl-1-propan-2-ylpyrrol-1-ium-2-amine chloride Traditional Name: tert-butyl-[(Z)-[5-(tert-butylamino)-1-isopropyl-3-methyl-4-phenyl-pyrrol-1-ium-2-ylidene]methyl]amine chloride Formula: C23H36ClN3 MolecularWeight: 390.00504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=[N+](C1=CNC(C)(C)C)C(C)C)NC(C)(C)C)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

CC\1=C(C(=[N+](/C1=C\NC(C)(C)C)C(C)C)NC(C)(C)C)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C23H35N3.ClH/c1-16(2)26-19(15-24-22(4,5)6)17(3)20(18-13-11-10-12-14-18)21(26)25-23(7,8)9;/h10-16H,1-9H3,(H,24,25);1H