4-tert-butyl-2-phenethyl-2,3-dihydro-1H-2,4-benzodiazepin-2-ium-5-one

Systemtic Name: 4-tert-butyl-2-phenethyl-2,3-dihydro-1H-2,4-benzodiazepin-2-ium-5-one Openeye Name: 4-tert-butyl-2-phenethyl-2,3-dihydro-1H-2,4-benzodiazepin-2-ium-5-one CAS Name: 4-tert-butyl-2-phenethyl-2,3-dihydro-1H-2,4-benzodiazepin-2-ium-5-one IUPAC Name: 4-tert-butyl-2-phenethyl-2,3-dihydro-1H-2,4-benzodiazepin-2-ium-5-one Traditional Name: 4-tert-butyl-2-phenethyl-2,3-dihydro-1H-2,4-benzodiazepin-2-ium-5-one Formula: C21H27N2O+ MolecularWeight: 323.45188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C[NH+](CC2=CC=CC=C2C1=O)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)N1C[NH+](CC2=CC=CC=C2C1=O)CCC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O/c1-21(2,3)23-16-22(14-13-17-9-5-4-6-10-17)15-18-11-7-8-12-19(18)20(23)24/h4-12H,13-16H2,1-3H3/p+1