N-(4-bromanyl-3-methyl-phenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-3-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]propanamide CAS Name: N-(4-bromo-3-methylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]propanamide IUPAC Name: N-(4-bromo-3-methylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propanamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-3-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]propionamide Formula: C23H29BrN3O+ MolecularWeight: 443.39986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CCN2CC[NH+](CC2)CC=CC3=CC=CC=C3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CCN2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)Br

InChI

InChI=1S/C23H28BrN3O/c1-19-18-21(9-10-22(19)24)25-23(28)11-13-27-16-14-26(15-17-27)12-5-8-20-6-3-2-4-7-20/h2-10,18H,11-17H2,1H3,(H,25,28)/p+1/b8-5+