(3-bromanyl-4-ethoxy-5-methoxy-phenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (3-bromanyl-4-ethoxy-5-methoxy-phenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Openeye Name: (3-bromo-4-ethoxy-5-methoxy-phenyl)-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methanone CAS Name: (3-bromo-4-ethoxy-5-methoxyphenyl)-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (3-bromo-4-ethoxy-5-methoxyphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Traditional Name: (3-bromo-4-ethoxy-5-methoxy-phenyl)-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methanone Formula: C23H28BrN2O3+ MolecularWeight: 460.38402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)OC

InChI

InChI=1S/C23H27BrN2O3/c1-3-29-22-20(24)16-19(17-21(22)28-2)23(27)26-14-12-25(13-15-26)11-7-10-18-8-5-4-6-9-18/h4-10,16-17H,3,11-15H2,1-2H3/p+1/b10-7+