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

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-1,4-diazepan-1-ium Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-1,4-diazepan-1-ium CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-1,4-diazepan-1-ium IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-1,4-diazepan-1-ium Traditional Name: 1-veratryl-1,4-diazepan-1-ium Formula: C14H23N2O2+ MolecularWeight: 251.34462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCCNCC2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCCNCC2)OC

InChI

InChI=1S/C14H22N2O2/c1-17-13-5-4-12(10-14(13)18-2)11-16-8-3-6-15-7-9-16/h4-5,10,15H,3,6-9,11H2,1-2H3/p+1