1-[(2-oxidanylnaphthalen-1-yl)methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-[(2-oxidanylnaphthalen-1-yl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 1-[(2-hydroxy-1-naphthyl)methyl]-1,4-diazepan-1-ium-5-one CAS Name: 1-[(2-hydroxy-1-naphthalenyl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[(2-hydroxynaphthalen-1-yl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 1-[(2-hydroxy-1-naphthyl)methyl]-1,4-diazepan-1-ium-5-one Formula: C16H19N2O2+ MolecularWeight: 271.33426

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCNC1=O)CC2=C(C=CC3=CC=CC=C32)O

Isomeric SMILES

C1C[NH+](CCNC1=O)CC2=C(C=CC3=CC=CC=C32)O

InChI

InChI=1S/C16H18N2O2/c19-15-6-5-12-3-1-2-4-13(12)14(15)11-18-9-7-16(20)17-8-10-18/h1-6,19H,7-11H2,(H,17,20)/p+1