2-(4-methoxyphenyl)ethyl-[(3S)-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl]azanium

Systemtic Name: 2-(4-methoxyphenyl)ethyl-[(3S)-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl]azanium Openeye Name: 2-(4-methoxyphenyl)ethyl-[(3S)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]ammonium CAS Name: 2-(4-methoxyphenyl)ethyl-[(3S)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]ammonium IUPAC Name: 2-(4-methoxyphenyl)ethyl-[(3S)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]azanium Traditional Name: [(3S)-2-keto-1,3,4,5-tetrahydro-1-benzazepin-3-yl]-[2-(4-methoxyphenyl)ethyl]ammonium Formula: C19H23N2O2+ MolecularWeight: 311.39812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC[NH2+]C2CCC3=CC=CC=C3NC2=O

Isomeric SMILES

COC1=CC=C(C=C1)CC[NH2+][C@H]2CCC3=CC=CC=C3NC2=O

InChI

InChI=1S/C19H22N2O2/c1-23-16-9-6-14(7-10-16)12-13-20-18-11-8-15-4-2-3-5-17(15)21-19(18)22/h2-7,9-10,18,20H,8,11-13H2,1H3,(H,21,22)/p+1/t18-/m0/s1