(4-tert-butylphenyl)methyl-methyl-[2-[(4S)-4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (4-tert-butylphenyl)methyl-methyl-[2-[(4S)-4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxidanylidene-ethyl]azanium Openeye Name: (4-tert-butylphenyl)methyl-methyl-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxo-ethyl]ammonium CAS Name: (4-tert-butylphenyl)methyl-methyl-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]ammonium IUPAC Name: (4-tert-butylphenyl)methyl-methyl-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]azanium Traditional Name: (4-tert-butylbenzyl)-[2-keto-2-[(4S)-2-keto-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethyl]-methyl-ammonium Formula: C24H32N3O2+ MolecularWeight: 394.52978

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)C[NH+](C)CC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

C[C@H]1CC(=O)NC2=CC=CC=C2N1C(=O)C[NH+](C)CC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C24H31N3O2/c1-17-14-22(28)25-20-8-6-7-9-21(20)27(17)23(29)16-26(5)15-18-10-12-19(13-11-18)24(2,3)4/h6-13,17H,14-16H2,1-5H3,(H,25,28)/p+1/t17-/m0/s1