5-methyl-2-(4,5,6,7-tetrahydro-1H-1,3-diazepin-3-ium-2-yl)phenol

Systemtic Name: 5-methyl-2-(4,5,6,7-tetrahydro-1H-1,3-diazepin-3-ium-2-yl)phenol Openeye Name: 5-methyl-2-(4,5,6,7-tetrahydro-1H-1,3-diazepin-3-ium-2-yl)phenol CAS Name: 5-methyl-2-(4,5,6,7-tetrahydro-1H-1,3-diazepin-3-ium-2-yl)phenol IUPAC Name: 5-methyl-2-(4,5,6,7-tetrahydro-1H-1,3-diazepin-3-ium-2-yl)phenol Traditional Name: 5-methyl-2-(4,5,6,7-tetrahydro-1H-1,3-diazepin-3-ium-2-yl)phenol Formula: C12H17N2O+ MolecularWeight: 205.27618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=[NH+]CCCCN2)O

Isomeric SMILES

CC1=CC(=C(C=C1)C2=[NH+]CCCCN2)O

InChI

InChI=1S/C12H16N2O/c1-9-4-5-10(11(15)8-9)12-13-6-2-3-7-14-12/h4-5,8,15H,2-3,6-7H2,1H3,(H,13,14)/p+1