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

Systemtic Name: 1-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-ium Openeye Name: 1-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-ium CAS Name: 1-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-ium IUPAC Name: 1-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-ium Traditional Name: 1-m-anisyl-1,4-diazepan-1-ium Formula: C13H21N2O+ MolecularWeight: 221.31864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O/c1-16-13-5-2-4-12(10-13)11-15-8-3-6-14-7-9-15/h2,4-5,10,14H,3,6-9,11H2,1H3/p+1