1-[(4-ethoxy-3-methoxy-phenyl)methyl]-4-methyl-1,4-diazepan-1-ium

Systemtic Name: 1-[(4-ethoxy-3-methoxy-phenyl)methyl]-4-methyl-1,4-diazepan-1-ium Openeye Name: 1-[(4-ethoxy-3-methoxy-phenyl)methyl]-4-methyl-1,4-diazepan-1-ium CAS Name: 1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-1,4-diazepan-1-ium IUPAC Name: 1-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-1,4-diazepan-1-ium Traditional Name: 1-(4-ethoxy-3-methoxy-benzyl)-4-methyl-1,4-diazepan-1-ium Formula: C16H27N2O2+ MolecularWeight: 279.39778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH+]2CCCN(CC2)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH+]2CCCN(CC2)C)OC

InChI

InChI=1S/C16H26N2O2/c1-4-20-15-7-6-14(12-16(15)19-3)13-18-9-5-8-17(2)10-11-18/h6-7,12H,4-5,8-11,13H2,1-3H3/p+1