1,4-diazepan-4-ium-1-yl-(1-oxidanylnaphthalen-2-yl)methanone

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C(=O)C2=C(C3=CC=CC=C3C=C2)O

Isomeric SMILES

C1C[NH2+]CCN(C1)C(=O)C2=C(C3=CC=CC=C3C=C2)O

InChI

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