1-[(Z)-2-bromanyl-3-phenyl-prop-2-enyl]-4-(2,3-dimethylphenyl)piperazin-1-ium

Systemtic Name: 1-[(Z)-2-bromanyl-3-phenyl-prop-2-enyl]-4-(2,3-dimethylphenyl)piperazin-1-ium Openeye Name: 1-[(Z)-2-bromo-3-phenyl-allyl]-4-(2,3-dimethylphenyl)piperazin-1-ium CAS Name: 1-[(Z)-2-bromo-3-phenylprop-2-enyl]-4-(2,3-dimethylphenyl)piperazin-1-ium IUPAC Name: 1-[(Z)-2-bromo-3-phenylprop-2-enyl]-4-(2,3-dimethylphenyl)piperazin-1-ium Traditional Name: 1-[(Z)-2-bromo-3-phenyl-allyl]-4-(2,3-dimethylphenyl)piperazin-1-ium Formula: C21H26BrN2+ MolecularWeight: 386.34854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=CC3=CC=CC=C3)Br)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)C/C(=C/C3=CC=CC=C3)/Br)C

InChI

InChI=1S/C21H25BrN2/c1-17-7-6-10-21(18(17)2)24-13-11-23(12-14-24)16-20(22)15-19-8-4-3-5-9-19/h3-10,15H,11-14,16H2,1-2H3/p+1/b20-15-