1-(1-phenethylpiperidin-1-ium-4-yl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium

Systemtic Name: 1-(1-phenethylpiperidin-1-ium-4-yl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium Openeye Name: 1-[(E)-cinnamyl]-4-(1-phenethylpiperidin-1-ium-4-yl)piperazine-1,4-diium CAS Name: 1-(1-phenethyl-4-piperidin-1-iumyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium IUPAC Name: 1-(1-phenethylpiperidin-1-ium-4-yl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium Traditional Name: 1-[(E)-cinnamyl]-4-(1-phenethylpiperidin-1-ium-4-yl)piperazine-1,4-diium Formula: C26H38N3+3 MolecularWeight: 392.60002

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH+]2CC[NH+](CC2)CC=CC3=CC=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1[NH+]2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C26H35N3/c1-3-8-24(9-4-1)12-7-16-27-20-22-29(23-21-27)26-14-18-28(19-15-26)17-13-25-10-5-2-6-11-25/h1-12,26H,13-23H2/p+3/b12-7+