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

Systemtic Name: methyl-[2-[(4S)-4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxidanylidene-ethyl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxo-ethyl]ammonium CAS Name: methyl-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]azanium Traditional Name: benzyl-[2-keto-2-[(4S)-2-keto-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethyl]-methyl-ammonium Formula: C20H24N3O2+ MolecularWeight: 338.42346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O2/c1-15-12-19(24)21-17-10-6-7-11-18(17)23(15)20(25)14-22(2)13-16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3,(H,21,24)/p+1/t15-/m0/s1