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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCC[NH2+]CC2

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCC[NH2+]CC2

InChI

InChI=1S/C13H20N2O/c1-16-13-5-3-12(4-6-13)11-15-9-2-7-14-8-10-15/h3-6,14H,2,7-11H2,1H3/p+1