[(4S)-2,2-dimethyl-4-oxidanyl-oxan-4-yl]methyl-[(3-ethoxy-4-methoxy-phenyl)methyl]azanium

Systemtic Name: [(4S)-2,2-dimethyl-4-oxidanyl-oxan-4-yl]methyl-[(3-ethoxy-4-methoxy-phenyl)methyl]azanium Openeye Name: (3-ethoxy-4-methoxy-phenyl)methyl-[[(4S)-4-hydroxy-2,2-dimethyl-tetrahydropyran-4-yl]methyl]ammonium CAS Name: (3-ethoxy-4-methoxyphenyl)methyl-[[(4S)-4-hydroxy-2,2-dimethyl-4-oxanyl]methyl]ammonium IUPAC Name: (3-ethoxy-4-methoxyphenyl)methyl-[[(4S)-4-hydroxy-2,2-dimethyloxan-4-yl]methyl]azanium Traditional Name: (3-ethoxy-4-methoxy-benzyl)-[[(4S)-4-hydroxy-2,2-dimethyl-tetrahydropyran-4-yl]methyl]ammonium Formula: C18H30NO4+ MolecularWeight: 324.4351

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]CC2(CCOC(C2)(C)C)O)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]C[C@@]2(CCOC(C2)(C)C)O)OC

InChI

InChI=1S/C18H29NO4/c1-5-22-16-10-14(6-7-15(16)21-4)11-19-13-18(20)8-9-23-17(2,3)12-18/h6-7,10,19-20H,5,8-9,11-13H2,1-4H3/p+1/t18-/m0/s1