1-[(4-methoxy-3-methyl-phenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium

Systemtic Name: 1-[(4-methoxy-3-methyl-phenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium Openeye Name: 1-[(4-methoxy-3-methyl-phenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium CAS Name: 1-[(4-methoxy-3-methylphenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium IUPAC Name: 1-[(4-methoxy-3-methylphenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium Traditional Name: 1-(4-methoxy-3-methyl-benzyl)-4-methyl-1,4-diazepane-1,4-diium Formula: C15H26N2O+2 MolecularWeight: 250.37974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C[NH+]2CCC[NH+](CC2)C)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C[NH+]2CCC[NH+](CC2)C)OC

InChI

InChI=1S/C15H24N2O/c1-13-11-14(5-6-15(13)18-3)12-17-8-4-7-16(2)9-10-17/h5-6,11H,4,7-10,12H2,1-3H3/p+2