1-methyl-4-[(3-phenylmethoxyphenyl)methyl]-1,4-diazepan-4-ium

Systemtic Name: 1-methyl-4-[(3-phenylmethoxyphenyl)methyl]-1,4-diazepan-4-ium Openeye Name: 1-[(3-benzyloxyphenyl)methyl]-4-methyl-1,4-diazepan-1-ium CAS Name: 1-methyl-4-[(3-phenylmethoxyphenyl)methyl]-1,4-diazepan-4-ium IUPAC Name: 1-methyl-4-[(3-phenylmethoxyphenyl)methyl]-1,4-diazepan-4-ium Traditional Name: 1-(3-benzoxybenzyl)-4-methyl-1,4-diazepan-1-ium Formula: C20H27N2O+ MolecularWeight: 311.44118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O/c1-21-11-6-12-22(14-13-21)16-19-9-5-10-20(15-19)23-17-18-7-3-2-4-8-18/h2-5,7-10,15H,6,11-14,16-17H2,1H3/p+1