azanyl-methyl-[naphthalen-2-yl-(2-oxidanylidene-1,5-dihydro-1,4-benzodiazepin-3-yl)methyl]-(3-sulfanylpropanoyl)azanium

Systemtic Name: azanyl-methyl-[naphthalen-2-yl-(2-oxidanylidene-1,5-dihydro-1,4-benzodiazepin-3-yl)methyl]-(3-sulfanylpropanoyl)azanium Openeye Name: amino-methyl-[2-naphthyl-(2-oxo-1,5-dihydro-1,4-benzodiazepin-3-yl)methyl]-(3-sulfanylpropanoyl)ammonium CAS Name: amino-(3-mercapto-1-oxopropyl)-methyl-[2-naphthalenyl-(2-oxo-1,5-dihydro-1,4-benzodiazepin-3-yl)methyl]ammonium IUPAC Name: amino-methyl-[naphthalen-2-yl-(2-oxo-1,5-dihydro-1,4-benzodiazepin-3-yl)methyl]-(3-sulfanylpropanoyl)azanium Traditional Name: amino-[(2-keto-1,5-dihydro-1,4-benzodiazepin-3-yl)-(2-naphthyl)methyl]-(3-mercaptopropanoyl)-methyl-ammonium Formula: C24H25N4O2S+ MolecularWeight: 433.5459

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C(C1=CC2=CC=CC=C2C=C1)C3=NCC4=CC=CC=C4NC3=O)(C(=O)CCS)N

Isomeric SMILES

C[N+](C(C1=CC2=CC=CC=C2C=C1)C3=NCC4=CC=CC=C4NC3=O)(C(=O)CCS)N

InChI

InChI=1S/C24H24N4O2S/c1-28(25,21(29)12-13-31)23(18-11-10-16-6-2-3-7-17(16)14-18)22-24(30)27-20-9-5-4-8-19(20)15-26-22/h2-11,14,23H,12-13,15,25H2,1H3,(H-,27,30,31)/p+1