3-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]phenol

Systemtic Name: 3-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]phenol Openeye Name: 3-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]phenol CAS Name: 3-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]phenol IUPAC Name: 3-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]phenol Traditional Name: 3-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]phenol Formula: C13H21N2O+ MolecularWeight: 221.31864

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC[NH+](CC1)CC2=CC(=CC=C2)O

Isomeric SMILES

CN1CCC[NH+](CC1)CC2=CC(=CC=C2)O

InChI

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