1-[(S)-(4-chlorophenyl)-phenyl-methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium

Systemtic Name: 1-[(S)-(4-chlorophenyl)-phenyl-methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Openeye Name: 1-[(S)-(4-chlorophenyl)-phenyl-methyl]-4-[(E)-cinnamyl]piperazin-4-ium CAS Name: 1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium IUPAC Name: 1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Traditional Name: 1-[(S)-(4-chlorophenyl)-phenyl-methyl]-4-[(E)-cinnamyl]piperazin-4-ium Formula: C26H28ClN2+ MolecularWeight: 403.96692

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)[C@@H](C3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H27ClN2/c27-25-15-13-24(14-16-25)26(23-11-5-2-6-12-23)29-20-18-28(19-21-29)17-7-10-22-8-3-1-4-9-22/h1-16,26H,17-21H2/p+1/b10-7+/t26-/m0/s1