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

Systemtic Name: furan-2-ylmethyl-[2-[(4S)-4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxidanylidene-ethyl]-(thiophen-2-ylmethyl)azanium Openeye Name: 2-furylmethyl-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxo-ethyl]-(2-thienylmethyl)ammonium CAS Name: 2-furanylmethyl-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: furan-2-ylmethyl-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium Traditional Name: 2-furfuryl-[2-keto-2-[(4S)-2-keto-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethyl]-(2-thenyl)ammonium Formula: C22H24N3O3S+ MolecularWeight: 410.50926

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)C[NH+](CC3=CC=CO3)CC4=CC=CS4

Isomeric SMILES

C[C@H]1CC(=O)NC2=CC=CC=C2N1C(=O)C[NH+](CC3=CC=CO3)CC4=CC=CS4

InChI

InChI=1S/C22H23N3O3S/c1-16-12-21(26)23-19-8-2-3-9-20(19)25(16)22(27)15-24(13-17-6-4-10-28-17)14-18-7-5-11-29-18/h2-11,16H,12-15H2,1H3,(H,23,26)/p+1/t16-/m0/s1