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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO3/c1-19-13-8-12(9-14(10-13)20-2)11-18-16-4-3-5-17-15(16)6-7-21-17/h6-10,16,18H,3-5,11H2,1-2H3/p+1/t16-/m0/s1