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

Systemtic Name: [4-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methylamino]-4-oxidanylidene-butyl]azanium Openeye Name: [4-[[4-(3,4-dimethoxyphenyl)tetrahydropyran-4-yl]methylamino]-4-oxo-butyl]ammonium CAS Name: [4-[[4-(3,4-dimethoxyphenyl)-4-oxanyl]methylamino]-4-oxobutyl]ammonium IUPAC Name: [4-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methylamino]-4-oxobutyl]azanium Traditional Name: [4-[[4-(3,4-dimethoxyphenyl)tetrahydropyran-4-yl]methylamino]-4-keto-butyl]ammonium Formula: C18H29N2O4+ MolecularWeight: 337.43386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O4/c1-22-15-6-5-14(12-16(15)23-2)18(7-10-24-11-8-18)13-20-17(21)4-3-9-19/h5-6,12H,3-4,7-11,13,19H2,1-2H3,(H,20,21)/p+1