2-(4-chlorophenyl)ethyl-[(1S)-3-oxidanylidene-2-phenethyl-4,5,6,7-tetrahydro-1H-isoindol-1-yl]azanium

Systemtic Name: 2-(4-chlorophenyl)ethyl-[(1S)-3-oxidanylidene-2-phenethyl-4,5,6,7-tetrahydro-1H-isoindol-1-yl]azanium Openeye Name: 2-(4-chlorophenyl)ethyl-[(1S)-3-oxo-2-phenethyl-4,5,6,7-tetrahydro-1H-isoindol-1-yl]ammonium CAS Name: 2-(4-chlorophenyl)ethyl-[(1S)-3-oxo-2-phenethyl-4,5,6,7-tetrahydro-1H-isoindol-1-yl]ammonium IUPAC Name: 2-(4-chlorophenyl)ethyl-[(1S)-3-oxo-2-phenethyl-4,5,6,7-tetrahydro-1H-isoindol-1-yl]azanium Traditional Name: 2-(4-chlorophenyl)ethyl-[(1S)-3-keto-2-phenethyl-4,5,6,7-tetrahydro-1H-isoindol-1-yl]ammonium Formula: C24H28ClN2O+ MolecularWeight: 395.94492

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(N(C2=O)CCC3=CC=CC=C3)[NH2+]CCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCC2=C(C1)[C@H](N(C2=O)CCC3=CC=CC=C3)[NH2+]CCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H27ClN2O/c25-20-12-10-19(11-13-20)14-16-26-23-21-8-4-5-9-22(21)24(28)27(23)17-15-18-6-2-1-3-7-18/h1-3,6-7,10-13,23,26H,4-5,8-9,14-17H2/p+1/t23-/m0/s1