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

Systemtic Name: (4-methoxyphenyl)methyl-methyl-[2-[(4S)-4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxidanylidene-ethyl]azanium Openeye Name: (4-methoxyphenyl)methyl-methyl-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxo-ethyl]ammonium CAS Name: (4-methoxyphenyl)methyl-methyl-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]ammonium IUPAC Name: (4-methoxyphenyl)methyl-methyl-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]azanium Traditional Name: [2-keto-2-[(4S)-2-keto-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethyl]-methyl-p-anisyl-ammonium Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3/c1-15-12-20(25)22-18-6-4-5-7-19(18)24(15)21(26)14-23(2)13-16-8-10-17(27-3)11-9-16/h4-11,15H,12-14H2,1-3H3,(H,22,25)/p+1/t15-/m0/s1