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

Systemtic Name: [1-(cyclohexylmethyl)piperidin-1-ium-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone Openeye Name: [4-[(E)-cinnamyl]piperazin-1-yl]-[1-(cyclohexylmethyl)piperidin-1-ium-4-yl]methanone CAS Name: [1-(cyclohexylmethyl)-4-piperidin-1-iumyl]-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]methanone IUPAC Name: [1-(cyclohexylmethyl)piperidin-1-ium-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone Traditional Name: [4-[(E)-cinnamyl]piperazino]-[1-(cyclohexylmethyl)piperidin-1-ium-4-yl]methanone Formula: C26H40N3O+ MolecularWeight: 410.6153

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C[NH+]2CCC(CC2)C(=O)N3CCN(CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C[NH+]2CCC(CC2)C(=O)N3CCN(CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C26H39N3O/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/h1,3-4,7-9,12,24-25H,2,5-6,10-11,13-22H2/p+1/b12-7+