(E)-3-(3-bromophenyl)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]prop-2-en-1-one

Systemtic Name: (E)-3-(3-bromophenyl)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]prop-2-en-1-one Openeye Name: (E)-3-(3-bromophenyl)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]prop-2-en-1-one CAS Name: (E)-3-(3-bromophenyl)-1-[4-methoxy-3-(4-morpholin-4-iumylmethyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(3-bromophenyl)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]prop-2-en-1-one Traditional Name: (E)-3-(3-bromophenyl)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]prop-2-en-1-one Formula: C21H23BrNO3+ MolecularWeight: 417.31622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C=CC2=CC(=CC=C2)Br)C[NH+]3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)/C=C/C2=CC(=CC=C2)Br)C[NH+]3CCOCC3

InChI

InChI=1S/C21H22BrNO3/c1-25-21-8-6-17(14-18(21)15-23-9-11-26-12-10-23)20(24)7-5-16-3-2-4-19(22)13-16/h2-8,13-14H,9-12,15H2,1H3/p+1/b7-5+