1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]-4-methyl-1,4-diazepan-1-ium

Systemtic Name: 1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]-4-methyl-1,4-diazepan-1-ium Openeye Name: 1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]-4-methyl-1,4-diazepan-1-ium CAS Name: 1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-methyl-1,4-diazepan-1-ium IUPAC Name: 1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-methyl-1,4-diazepan-1-ium Traditional Name: 1-(4-methoxy-2,5-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=CC(=C(C=C1C[NH+]2CCCN(CC2)C)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O/c1-13-11-16(19-4)14(2)10-15(13)12-18-7-5-6-17(3)8-9-18/h10-11H,5-9,12H2,1-4H3/p+1