1-[(2,4-dimethoxy-3-methyl-phenyl)methyl]-4-methyl-1,4-diazepan-1-ium

Systemtic Name: 1-[(2,4-dimethoxy-3-methyl-phenyl)methyl]-4-methyl-1,4-diazepan-1-ium Openeye Name: 1-[(2,4-dimethoxy-3-methyl-phenyl)methyl]-4-methyl-1,4-diazepan-1-ium CAS Name: 1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-methyl-1,4-diazepan-1-ium IUPAC Name: 1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-methyl-1,4-diazepan-1-ium Traditional Name: 1-(2,4-dimethoxy-3-methyl-benzyl)-4-methyl-1,4-diazepan-1-ium Formula: C16H27N2O2+ MolecularWeight: 279.39778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1OC)C[NH+]2CCCN(CC2)C)OC

Isomeric SMILES

CC1=C(C=CC(=C1OC)C[NH+]2CCCN(CC2)C)OC

InChI

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