(3,4-dimethoxyphenyl)methyl-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]azanium

Systemtic Name: (3,4-dimethoxyphenyl)methyl-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]azanium Openeye Name: (3,4-dimethoxyphenyl)methyl-[(4S)-4,5,6,7-tetrahydrobenzofuran-4-yl]ammonium CAS Name: (3,4-dimethoxyphenyl)methyl-[(4S)-4,5,6,7-tetrahydrobenzofuran-4-yl]ammonium IUPAC Name: (3,4-dimethoxyphenyl)methyl-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]azanium Traditional Name: [(4S)-4,5,6,7-tetrahydrobenzofuran-4-yl]-veratryl-ammonium Formula: C17H22NO3+ MolecularWeight: 288.36148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]C2CCCC3=C2C=CO3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+][C@H]2CCCC3=C2C=CO3)OC

InChI

InChI=1S/C17H21NO3/c1-19-16-7-6-12(10-17(16)20-2)11-18-14-4-3-5-15-13(14)8-9-21-15/h6-10,14,18H,3-5,11H2,1-2H3/p+1/t14-/m0/s1