(2E,4E)-1-(1,4-diazepan-4-ium-1-yl)hexa-2,4-dien-1-one

Systemtic Name: (2E,4E)-1-(1,4-diazepan-4-ium-1-yl)hexa-2,4-dien-1-one Openeye Name: (2E,4E)-1-(1,4-diazepan-4-ium-1-yl)hexa-2,4-dien-1-one CAS Name: (2E,4E)-1-(1,4-diazepan-4-ium-1-yl)-1-hexa-2,4-dienone IUPAC Name: (2E,4E)-1-(1,4-diazepan-4-ium-1-yl)hexa-2,4-dien-1-one Traditional Name: (2E,4E)-1-(1,4-diazepan-4-ium-1-yl)hexa-2,4-dien-1-one Formula: C11H19N2O+ MolecularWeight: 195.28136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H18N2O/c1-2-3-4-6-11(14)13-9-5-7-12-8-10-13/h2-4,6,12H,5,7-10H2,1H3/p+1/b3-2+,6-4+