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

Systemtic Name: methyl-[2-[(4S)-4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxidanylidene-ethyl]-phenethyl-azanium Openeye Name: methyl-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxo-ethyl]-phenethyl-ammonium CAS Name: methyl-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]-phenethylammonium IUPAC Name: methyl-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]-phenethylazanium Traditional Name: [2-keto-2-[(4S)-2-keto-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethyl]-methyl-phenethyl-ammonium Formula: C21H26N3O2+ MolecularWeight: 352.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)C[NH+](C)CCC3=CC=CC=C3

Isomeric SMILES

C[C@H]1CC(=O)NC2=CC=CC=C2N1C(=O)C[NH+](C)CCC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2/c1-16-14-20(25)22-18-10-6-7-11-19(18)24(16)21(26)15-23(2)13-12-17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3,(H,22,25)/p+1/t16-/m0/s1