[2-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methylamino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: [2-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methylamino]-2-oxidanylidene-ethyl]azanium Openeye Name: [2-[[4-(3,4-dimethoxyphenyl)tetrahydropyran-4-yl]methylamino]-2-oxo-ethyl]ammonium CAS Name: [2-[[4-(3,4-dimethoxyphenyl)-4-oxanyl]methylamino]-2-oxoethyl]ammonium IUPAC Name: [2-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methylamino]-2-oxoethyl]azanium Traditional Name: [2-[[4-(3,4-dimethoxyphenyl)tetrahydropyran-4-yl]methylamino]-2-keto-ethyl]ammonium Formula: C16H25N2O4+ MolecularWeight: 309.3807

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCOCC2)CNC(=O)C[NH3+])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCOCC2)CNC(=O)C[NH3+])OC

InChI

InChI=1S/C16H24N2O4/c1-20-13-4-3-12(9-14(13)21-2)16(5-7-22-8-6-16)11-18-15(19)10-17/h3-4,9H,5-8,10-11,17H2,1-2H3,(H,18,19)/p+1