[3-[(4-tert-butylphenyl)carbamoyl]pyridin-2-yl]-(2,3-dihydro-1H-isoindol-4-yl)-oxidanylidene-azanium

Systemtic Name: [3-[(4-tert-butylphenyl)carbamoyl]pyridin-2-yl]-(2,3-dihydro-1H-isoindol-4-yl)-oxidanylidene-azanium Openeye Name: [3-[(4-tert-butylphenyl)carbamoyl]-2-pyridyl]-isoindolin-4-yl-oxo-ammonium CAS Name: [3-[(4-tert-butylanilino)-oxomethyl]-2-pyridinyl]-(2,3-dihydro-1H-isoindol-4-yl)-oxoammonium IUPAC Name: [3-[(4-tert-butylphenyl)carbamoyl]pyridin-2-yl]-(2,3-dihydro-1H-isoindol-4-yl)-oxoazanium Traditional Name: [3-[(4-tert-butylphenyl)carbamoyl]-2-pyridyl]-isoindolin-4-yl-keto-ammonium Formula: C24H25N4O2+ MolecularWeight: 401.4809

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)[N+](=O)C3=CC=CC4=C3CNC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)[N+](=O)C3=CC=CC4=C3CNC4

InChI

InChI=1S/C24H24N4O2/c1-24(2,3)17-9-11-18(12-10-17)27-23(29)19-7-5-13-26-22(19)28(30)21-8-4-6-16-14-25-15-20(16)21/h4-13,25H,14-15H2,1-3H3/p+1