[(2S)-1-[(3S)-3-aminocarbonyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: [(2S)-1-[(3S)-3-aminocarbonyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-2-[(3S)-3-carbamoyl-3,4-dihydro-1H-isoquinolin-2-yl]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-[(3S)-3-carbamoyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]ammonium IUPAC Name: [(2S)-1-[(3S)-3-carbamoyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]azanium Traditional Name: [(1S)-2-[(3S)-3-carbamoyl-3,4-dihydro-1H-isoquinolin-2-yl]-1-(4-hydroxybenzyl)-2-keto-ethyl]ammonium Formula: C19H22N3O3+ MolecularWeight: 340.39628

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)C(CC3=CC=C(C=C3)O)[NH3+])C(=O)N

Isomeric SMILES

C1[C@H](N(CC2=CC=CC=C21)C(=O)[C@H](CC3=CC=C(C=C3)O)[NH3+])C(=O)N

InChI

InChI=1S/C19H21N3O3/c20-16(9-12-5-7-15(23)8-6-12)19(25)22-11-14-4-2-1-3-13(14)10-17(22)18(21)24/h1-8,16-17,23H,9-11,20H2,(H2,21,24)/p+1/t16-,17-/m0/s1