[(2S,3S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-1-oxidanylidene-pentan-2-yl]azanium

Systemtic Name: [(2S,3S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S,2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methyl-butyl]ammonium CAS Name: [(2S,3S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S,3S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-1-oxopentan-2-yl]azanium Traditional Name: [(1S,2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methyl-butyl]ammonium Formula: C17H27N2O3+ MolecularWeight: 307.40788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCC2=CC(=C(C=C2C1)OC)OC)[NH3+]

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N1CCC2=CC(=C(C=C2C1)OC)OC)[NH3+]

InChI

InChI=1S/C17H26N2O3/c1-5-11(2)16(18)17(20)19-7-6-12-8-14(21-3)15(22-4)9-13(12)10-19/h8-9,11,16H,5-7,10,18H2,1-4H3/p+1/t11-,16-/m0/s1