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

Systemtic Name: [1-(phenylmethyl)piperidin-1-ium-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Openeye Name: (1-benzylpiperidin-1-ium-4-yl)-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methanone CAS Name: [1-(phenylmethyl)-4-piperidin-1-iumyl]-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methanone Formula: C26H35N3O+2 MolecularWeight: 405.5756

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H33N3O/c30-26(25-13-16-28(17-14-25)22-24-10-5-2-6-11-24)29-20-18-27(19-21-29)15-7-12-23-8-3-1-4-9-23/h1-12,25H,13-22H2/p+2/b12-7+