(E)-1-(1,4-diazepan-4-ium-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(1,4-diazepan-4-ium-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one Openeye Name: (E)-1-(1,4-diazepan-4-ium-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one CAS Name: (E)-1-(1,4-diazepan-4-ium-1-yl)-3-(4-methoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-(1,4-diazepan-4-ium-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-(1,4-diazepan-4-ium-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one Formula: C15H21N2O2+ MolecularWeight: 261.33944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)N2CCC[NH2+]CC2

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C(=O)N2CCC[NH2+]CC2

InChI

InChI=1S/C15H20N2O2/c1-19-14-6-3-13(4-7-14)5-8-15(18)17-11-2-9-16-10-12-17/h3-8,16H,2,9-12H2,1H3/p+1/b8-5+