2-(3,5-ditert-butylphenyl)-3H-isoindol-2-ium-1-amine

Systemtic Name: 2-(3,5-ditert-butylphenyl)-3H-isoindol-2-ium-1-amine Openeye Name: 2-(3,5-ditert-butylphenyl)-3H-isoindol-2-ium-1-amine CAS Name: 2-(3,5-ditert-butylphenyl)-3H-isoindol-2-ium-1-amine IUPAC Name: 2-(3,5-ditert-butylphenyl)-3H-isoindol-2-ium-1-amine Traditional Name: [2-(3,5-ditert-butylphenyl)-3H-isoindol-2-ium-1-yl]amine Formula: C22H29N2+ MolecularWeight: 321.47906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)[N+]2=C(C3=CC=CC=C3C2)N)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)[N+]2=C(C3=CC=CC=C3C2)N)C(C)(C)C

InChI

InChI=1S/C22H28N2/c1-21(2,3)16-11-17(22(4,5)6)13-18(12-16)24-14-15-9-7-8-10-19(15)20(24)23/h7-13,23H,14H2,1-6H3/p+1