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

Systemtic Name: methyl-[2-[(4S)-4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxidanylidene-ethyl]-(thiophen-3-ylmethyl)azanium Openeye Name: methyl-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxo-ethyl]-(3-thienylmethyl)ammonium CAS Name: methyl-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]-(3-thiophenylmethyl)ammonium IUPAC Name: methyl-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]-(thiophen-3-ylmethyl)azanium Traditional Name: [2-keto-2-[(4S)-2-keto-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethyl]-methyl-(3-thenyl)ammonium Formula: C18H22N3O2S+ MolecularWeight: 344.45118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O2S/c1-13-9-17(22)19-15-5-3-4-6-16(15)21(13)18(23)11-20(2)10-14-7-8-24-12-14/h3-8,12-13H,9-11H2,1-2H3,(H,19,22)/p+1/t13-/m0/s1