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

Systemtic Name: (3-cyanophenyl)methyl-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]azanium Openeye Name: (3-cyanophenyl)methyl-[(4S)-4,5,6,7-tetrahydrobenzofuran-4-yl]ammonium CAS Name: (3-cyanophenyl)methyl-[(4S)-4,5,6,7-tetrahydrobenzofuran-4-yl]ammonium IUPAC Name: (3-cyanophenyl)methyl-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]azanium Traditional Name: (3-cyanobenzyl)-[(4S)-4,5,6,7-tetrahydrobenzofuran-4-yl]ammonium Formula: C16H17N2O+ MolecularWeight: 253.31898

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C1)OC=C2)[NH2+]CC3=CC=CC(=C3)C#N

Isomeric SMILES

C1C[C@@H](C2=C(C1)OC=C2)[NH2+]CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C16H16N2O/c17-10-12-3-1-4-13(9-12)11-18-15-5-2-6-16-14(15)7-8-19-16/h1,3-4,7-9,15,18H,2,5-6,11H2/p+1/t15-/m0/s1