[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methanone

Systemtic Name: [4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methanone Openeye Name: [4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methanone CAS Name: [4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methanone IUPAC Name: [4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methanone Traditional Name: [4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methanone Formula: C25H33N3O+2 MolecularWeight: 391.54902

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C25H31N3O/c29-25(24-12-10-23(11-13-24)21-27-14-4-5-15-27)28-19-17-26(18-20-28)16-6-9-22-7-2-1-3-8-22/h1-3,6-13H,4-5,14-21H2/p+2/b9-6+