1-[(Z)-2-chloranyl-3-phenyl-prop-2-enyl]-4-(2,5-dimethylphenyl)piperazin-1-ium

Systemtic Name: 1-[(Z)-2-chloranyl-3-phenyl-prop-2-enyl]-4-(2,5-dimethylphenyl)piperazin-1-ium Openeye Name: 1-[(Z)-2-chloro-3-phenyl-allyl]-4-(2,5-dimethylphenyl)piperazin-1-ium CAS Name: 1-[(Z)-2-chloro-3-phenylprop-2-enyl]-4-(2,5-dimethylphenyl)piperazin-1-ium IUPAC Name: 1-[(Z)-2-chloro-3-phenylprop-2-enyl]-4-(2,5-dimethylphenyl)piperazin-1-ium Traditional Name: 1-[(Z)-2-chloro-3-phenyl-allyl]-4-(2,5-dimethylphenyl)piperazin-1-ium Formula: C21H26ClN2+ MolecularWeight: 341.89754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2/c1-17-8-9-18(2)21(14-17)24-12-10-23(11-13-24)16-20(22)15-19-6-4-3-5-7-19/h3-9,14-15H,10-13,16H2,1-2H3/p+1/b20-15-