1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-4-methyl-1,4-diazepan-1-ium

Systemtic Name: 1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-4-methyl-1,4-diazepan-1-ium Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)methyl]-4-methyl-1,4-diazepan-1-ium CAS Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-methyl-1,4-diazepan-1-ium IUPAC Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-methyl-1,4-diazepan-1-ium Traditional Name: 1-(4-benzoxy-3-methoxy-benzyl)-4-methyl-1,4-diazepan-1-ium Formula: C21H29N2O2+ MolecularWeight: 341.46716

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC[NH+](CC1)CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

Isomeric SMILES

CN1CCC[NH+](CC1)CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C21H28N2O2/c1-22-11-6-12-23(14-13-22)16-19-9-10-20(21(15-19)24-2)25-17-18-7-4-3-5-8-18/h3-5,7-10,15H,6,11-14,16-17H2,1-2H3/p+1