1-(1,4-diazepan-4-ium-1-yl)prop-2-yn-1-one

Systemtic Name: 1-(1,4-diazepan-4-ium-1-yl)prop-2-yn-1-one Openeye Name: 1-(1,4-diazepan-4-ium-1-yl)prop-2-yn-1-one CAS Name: 1-(1,4-diazepan-4-ium-1-yl)-2-propyn-1-one IUPAC Name: 1-(1,4-diazepan-4-ium-1-yl)prop-2-yn-1-one Traditional Name: 1-(1,4-diazepan-4-ium-1-yl)prop-2-yn-1-one Formula: C8H13N2O+ MolecularWeight: 153.20162

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Descriptors Computed from Structure

Canonical SMILES:

C#CC(=O)N1CCC[NH2+]CC1

Isomeric SMILES

C#CC(=O)N1CCC[NH2+]CC1

InChI

InChI=1S/C8H12N2O/c1-2-8(11)10-6-3-4-9-5-7-10/h1,9H,3-7H2/p+1