3-(1,4-diazepan-4-ium-1-yl)phenol

Systemtic Name: 3-(1,4-diazepan-4-ium-1-yl)phenol Openeye Name: 3-(1,4-diazepan-4-ium-1-yl)phenol CAS Name: 3-(1,4-diazepan-4-ium-1-yl)phenol IUPAC Name: 3-(1,4-diazepan-4-ium-1-yl)phenol Traditional Name: 3-(1,4-diazepan-4-ium-1-yl)phenol Formula: C11H17N2O+ MolecularWeight: 193.26548

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C2=CC(=CC=C2)O

Isomeric SMILES

C1C[NH2+]CCN(C1)C2=CC(=CC=C2)O

InChI

InChI=1S/C11H16N2O/c14-11-4-1-3-10(9-11)13-7-2-5-12-6-8-13/h1,3-4,9,12,14H,2,5-8H2/p+1