[(3S)-2-oxidanylideneazepan-3-yl]-[(4-phenylmethoxyphenyl)methyl]azanium

Systemtic Name: [(3S)-2-oxidanylideneazepan-3-yl]-[(4-phenylmethoxyphenyl)methyl]azanium Openeye Name: (4-benzyloxyphenyl)methyl-[(3S)-2-oxoazepan-3-yl]ammonium CAS Name: [(3S)-2-oxo-3-azepanyl]-[(4-phenylmethoxyphenyl)methyl]ammonium IUPAC Name: [(3S)-2-oxoazepan-3-yl]-[(4-phenylmethoxyphenyl)methyl]azanium Traditional Name: (4-benzoxybenzyl)-[(3S)-2-ketoazepan-3-yl]ammonium Formula: C20H25N2O2+ MolecularWeight: 325.4247

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)[NH2+]CC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

C1CCNC(=O)[C@H](C1)[NH2+]CC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C20H24N2O2/c23-20-19(8-4-5-13-21-20)22-14-16-9-11-18(12-10-16)24-15-17-6-2-1-3-7-17/h1-3,6-7,9-12,19,22H,4-5,8,13-15H2,(H,21,23)/p+1/t19-/m0/s1