(E)-3-(1,3-benzodioxol-5-yl)-1-(1,4-diazepan-4-ium-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(1,4-diazepan-4-ium-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(1,4-diazepan-4-ium-1-yl)prop-2-en-1-one CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(1,4-diazepan-4-ium-1-yl)-2-propen-1-one IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(1,4-diazepan-4-ium-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(1,4-diazepan-4-ium-1-yl)prop-2-en-1-one Formula: C15H19N2O3+ MolecularWeight: 275.32296

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C(=O)C=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1C[NH2+]CCN(C1)C(=O)/C=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H18N2O3/c18-15(17-8-1-6-16-7-9-17)5-3-12-2-4-13-14(10-12)20-11-19-13/h2-5,10,16H,1,6-9,11H2/p+1/b5-3+