(E)-1-(1,4-diazepan-4-ium-1-yl)-2-methyl-pent-2-en-1-one

Systemtic Name: (E)-1-(1,4-diazepan-4-ium-1-yl)-2-methyl-pent-2-en-1-one Openeye Name: (E)-1-(1,4-diazepan-4-ium-1-yl)-2-methyl-pent-2-en-1-one CAS Name: (E)-1-(1,4-diazepan-4-ium-1-yl)-2-methyl-2-penten-1-one IUPAC Name: (E)-1-(1,4-diazepan-4-ium-1-yl)-2-methylpent-2-en-1-one Traditional Name: (E)-1-(1,4-diazepan-4-ium-1-yl)-2-methyl-pent-2-en-1-one Formula: C11H21N2O+ MolecularWeight: 197.29724

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Descriptors Computed from Structure

Canonical SMILES:

CCC=C(C)C(=O)N1CCC[NH2+]CC1

Isomeric SMILES

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

InChI

InChI=1S/C11H20N2O/c1-3-5-10(2)11(14)13-8-4-6-12-7-9-13/h5,12H,3-4,6-9H2,1-2H3/p+1/b10-5+