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

Systemtic Name: furan-2-ylmethyl-[2-[(4S)-4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxidanylidene-ethyl]-(phenylmethyl)azanium Openeye Name: benzyl-(2-furylmethyl)-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxo-ethyl]ammonium CAS Name: 2-furanylmethyl-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-(furan-2-ylmethyl)-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]azanium Traditional Name: benzyl-(2-furfuryl)-[2-keto-2-[(4S)-2-keto-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethyl]ammonium Formula: C24H26N3O3+ MolecularWeight: 404.48154

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)C[NH+](CC3=CC=CC=C3)CC4=CC=CO4

Isomeric SMILES

C[C@H]1CC(=O)NC2=CC=CC=C2N1C(=O)C[NH+](CC3=CC=CC=C3)CC4=CC=CO4

InChI

InChI=1S/C24H25N3O3/c1-18-14-23(28)25-21-11-5-6-12-22(21)27(18)24(29)17-26(16-20-10-7-13-30-20)15-19-8-3-2-4-9-19/h2-13,18H,14-17H2,1H3,(H,25,28)/p+1/t18-/m0/s1