2-[2-[di(propan-2-yl)amino]-2-di(propan-2-yl)azaniumylidene-ethanoyl]benzoate

Systemtic Name: 2-[2-[di(propan-2-yl)amino]-2-di(propan-2-yl)azaniumylidene-ethanoyl]benzoate Openeye Name: 2-[2-(diisopropylamino)-2-diisopropyliminio-acetyl]benzoate CAS Name: 2-[2-[di(propan-2-yl)amino]-2-di(propan-2-yl)iminio-1-oxoethyl]benzoate IUPAC Name: 2-[2-[di(propan-2-yl)amino]-2-di(propan-2-yl)azaniumylideneacetyl]benzoate Traditional Name: 2-[2-(diisopropylamino)-2-diisopropyliminio-acetyl]benzoate Formula: C21H32N2O3 MolecularWeight: 360.49038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=[N+](C(C)C)C(C)C)C(=O)C1=CC=CC=C1C(=O)[O-]

Isomeric SMILES

CC(C)N(C(C)C)C(=[N+](C(C)C)C(C)C)C(=O)C1=CC=CC=C1C(=O)[O-]

InChI

InChI=1S/C21H32N2O3/c1-13(2)22(14(3)4)20(23(15(5)6)16(7)8)19(24)17-11-9-10-12-18(17)21(25)26/h9-16H,1-8H3