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

Systemtic Name: [3-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methylamino]-3-oxidanylidene-propyl]azanium Openeye Name: [3-[[4-(3,4-dimethoxyphenyl)tetrahydropyran-4-yl]methylamino]-3-oxo-propyl]ammonium CAS Name: [3-[[4-(3,4-dimethoxyphenyl)-4-oxanyl]methylamino]-3-oxopropyl]ammonium IUPAC Name: [3-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methylamino]-3-oxopropyl]azanium Traditional Name: [3-[[4-(3,4-dimethoxyphenyl)tetrahydropyran-4-yl]methylamino]-3-keto-propyl]ammonium Formula: C17H27N2O4+ MolecularWeight: 323.40728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O4/c1-21-14-4-3-13(11-15(14)22-2)17(6-9-23-10-7-17)12-19-16(20)5-8-18/h3-4,11H,5-10,12,18H2,1-2H3,(H,19,20)/p+1