(3-methoxy-4-phenylmethoxy-phenyl)methyl-[(3S)-2-oxidanylideneazepan-3-yl]azanium

Systemtic Name: (3-methoxy-4-phenylmethoxy-phenyl)methyl-[(3S)-2-oxidanylideneazepan-3-yl]azanium Openeye Name: (4-benzyloxy-3-methoxy-phenyl)methyl-[(3S)-2-oxoazepan-3-yl]ammonium CAS Name: (3-methoxy-4-phenylmethoxyphenyl)methyl-[(3S)-2-oxo-3-azepanyl]ammonium IUPAC Name: (3-methoxy-4-phenylmethoxyphenyl)methyl-[(3S)-2-oxoazepan-3-yl]azanium Traditional Name: (4-benzoxy-3-methoxy-benzyl)-[(3S)-2-ketoazepan-3-yl]ammonium Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]C2CCCCNC2=O)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+][C@H]2CCCCNC2=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O3/c1-25-20-13-17(14-23-18-9-5-6-12-22-21(18)24)10-11-19(20)26-15-16-7-3-2-4-8-16/h2-4,7-8,10-11,13,18,23H,5-6,9,12,14-15H2,1H3,(H,22,24)/p+1/t18-/m0/s1