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

Systemtic Name: [4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-[(2S)-pyrrolidin-1-ium-2-yl]methanone Openeye Name: [4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-[(2S)-pyrrolidin-1-ium-2-yl]methanone CAS Name: [4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-[(2S)-2-pyrrolidin-1-iumyl]methanone IUPAC Name: [4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-[(2S)-pyrrolidin-1-ium-2-yl]methanone Traditional Name: [4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-[(2S)-pyrrolidin-1-ium-2-yl]methanone Formula: C18H27N3O+2 MolecularWeight: 301.42648

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)C(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

C1C[C@H]([NH2+]C1)C(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C18H25N3O/c22-18(17-9-4-10-19-17)21-14-12-20(13-15-21)11-5-8-16-6-2-1-3-7-16/h1-3,5-8,17,19H,4,9-15H2/p+2/b8-5+/t17-/m0/s1