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

Systemtic Name: (4-methoxycarbonylphenyl)methyl-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]azanium Openeye Name: (4-methoxycarbonylphenyl)methyl-[(4S)-4,5,6,7-tetrahydrobenzofuran-4-yl]ammonium CAS Name: (4-methoxycarbonylphenyl)methyl-[(4S)-4,5,6,7-tetrahydrobenzofuran-4-yl]ammonium IUPAC Name: (4-methoxycarbonylphenyl)methyl-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]azanium Traditional Name: (4-carbomethoxybenzyl)-[(4S)-4,5,6,7-tetrahydrobenzofuran-4-yl]ammonium Formula: C17H20NO3+ MolecularWeight: 286.3456

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C[NH2+]C2CCCC3=C2C=CO3

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO3/c1-20-17(19)13-7-5-12(6-8-13)11-18-15-3-2-4-16-14(15)9-10-21-16/h5-10,15,18H,2-4,11H2,1H3/p+1/t15-/m0/s1