[(2S)-1-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methylamino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: [(2S)-1-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methylamino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-2-[[4-(3,4-dimethoxyphenyl)tetrahydropyran-4-yl]methylamino]-1-methyl-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-[[4-(3,4-dimethoxyphenyl)-4-oxanyl]methylamino]-1-oxopropan-2-yl]ammonium IUPAC Name: [(2S)-1-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methylamino]-1-oxopropan-2-yl]azanium Traditional Name: [(1S)-2-[[4-(3,4-dimethoxyphenyl)tetrahydropyran-4-yl]methylamino]-2-keto-1-methyl-ethyl]ammonium Formula: C17H27N2O4+ MolecularWeight: 323.40728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1(CCOCC1)C2=CC(=C(C=C2)OC)OC)[NH3+]

Isomeric SMILES

C[C@@H](C(=O)NCC1(CCOCC1)C2=CC(=C(C=C2)OC)OC)[NH3+]

InChI

InChI=1S/C17H26N2O4/c1-12(18)16(20)19-11-17(6-8-23-9-7-17)13-4-5-14(21-2)15(10-13)22-3/h4-5,10,12H,6-9,11,18H2,1-3H3,(H,19,20)/p+1/t12-/m0/s1