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2-(azocan-1-ium-1-ylmethyl)phthalazin-1-one

2-(azocan-1-ium-1-ylmethyl)phthalazin-1-one

Systemtic Name:2-(azocan-1-ium-1-ylmethyl)phthalazin-1-one
Openeye Name:2-(azocan-1-ium-1-ylmethyl)phthalazin-1-one
CAS Name:2-(1-azocan-1-iumylmethyl)-1-phthalazinone
IUPAC Name:2-(azocan-1-ium-1-ylmethyl)phthalazin-1-one
Traditional Name:2-(azocan-1-ium-1-ylmethyl)phthalazin-1-one
Formula: C16H22N3O+
MolecularWeight: 272.36538
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CN2C(=O)C3=CC=CC=C3C=N2


Isomeric SMILES

C1CCC[NH+](CCC1)CN2C(=O)C3=CC=CC=C3C=N2


InChI

InChI=1S/C16H21N3O/c20-16-15-9-5-4-8-14(15)12-17-19(16)13-18-10-6-2-1-3-7-11-18/h4-5,8-9,12H,1-3,6-7,10-11,13H2/p+1


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