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

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-methyl-1,4-diazepan-1-ium Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-methyl-1,4-diazepan-1-ium CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-methyl-1,4-diazepan-1-ium IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-methyl-1,4-diazepan-1-ium Traditional Name: 1-methyl-4-veratryl-1,4-diazepan-4-ium Formula: C15H25N2O2+ MolecularWeight: 265.3712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N2O2/c1-16-7-4-8-17(10-9-16)12-13-5-6-14(18-2)15(11-13)19-3/h5-6,11H,4,7-10,12H2,1-3H3/p+1