2-[(4-methyl-1,4-diazepane-1,4-diium-1-yl)methyl]phenol

Systemtic Name: 2-[(4-methyl-1,4-diazepane-1,4-diium-1-yl)methyl]phenol Openeye Name: 2-[(4-methyl-1,4-diazepane-1,4-diium-1-yl)methyl]phenol CAS Name: 2-[(4-methyl-1,4-diazepane-1,4-diium-1-yl)methyl]phenol IUPAC Name: 2-[(4-methyl-1,4-diazepane-1,4-diium-1-yl)methyl]phenol Traditional Name: 2-[(4-methyl-1,4-diazepane-1,4-diium-1-yl)methyl]phenol Formula: C13H22N2O+2 MolecularWeight: 222.32658

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC[NH+](CC1)CC2=CC=CC=C2O

Isomeric SMILES

C[NH+]1CCC[NH+](CC1)CC2=CC=CC=C2O

InChI

InChI=1S/C13H20N2O/c1-14-7-4-8-15(10-9-14)11-12-5-2-3-6-13(12)16/h2-3,5-6,16H,4,7-11H2,1H3/p+2