1-[(2-methoxyphenyl)methyl]-4-methyl-1,4-diazepan-1-ium

Systemtic Name: 1-[(2-methoxyphenyl)methyl]-4-methyl-1,4-diazepan-1-ium Openeye Name: 1-[(2-methoxyphenyl)methyl]-4-methyl-1,4-diazepan-1-ium CAS Name: 1-[(2-methoxyphenyl)methyl]-4-methyl-1,4-diazepan-1-ium IUPAC Name: 1-[(2-methoxyphenyl)methyl]-4-methyl-1,4-diazepan-1-ium Traditional Name: 1-methyl-4-o-anisyl-1,4-diazepan-4-ium Formula: C14H23N2O+ MolecularWeight: 235.34522

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC[NH+](CC1)CC2=CC=CC=C2OC

Isomeric SMILES

CN1CCC[NH+](CC1)CC2=CC=CC=C2OC

InChI

InChI=1S/C14H22N2O/c1-15-8-5-9-16(11-10-15)12-13-6-3-4-7-14(13)17-2/h3-4,6-7H,5,8-12H2,1-2H3/p+1