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

Systemtic Name: 1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-4-methyl-1,4-diazepan-1-ium Openeye Name: 1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-4-methyl-1,4-diazepan-1-ium CAS Name: 1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-methyl-1,4-diazepan-1-ium IUPAC Name: 1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-methyl-1,4-diazepan-1-ium Traditional Name: 1-(4-methoxy-2,3-dimethyl-benzyl)-4-methyl-1,4-diazepan-1-ium Formula: C16H27N2O+ MolecularWeight: 263.39838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)OC)C[NH+]2CCCN(CC2)C

Isomeric SMILES

CC1=C(C=CC(=C1C)OC)C[NH+]2CCCN(CC2)C

InChI

InChI=1S/C16H26N2O/c1-13-14(2)16(19-4)7-6-15(13)12-18-9-5-8-17(3)10-11-18/h6-7H,5,8-12H2,1-4H3/p+1