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

Systemtic Name: [4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methanone Openeye Name: [4-[(E)-cinnamyl]piperazin-1-yl]-[1-(2-thienylmethyl)piperidin-1-ium-4-yl]methanone CAS Name: [4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]-[1-(thiophen-2-ylmethyl)-4-piperidin-1-iumyl]methanone IUPAC Name: [4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methanone Traditional Name: [4-[(E)-cinnamyl]piperazino]-[1-(2-thenyl)piperidin-1-ium-4-yl]methanone Formula: C24H32N3OS+ MolecularWeight: 410.59538

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N2CCN(CC2)CC=CC3=CC=CC=C3)CC4=CC=CS4

Isomeric SMILES

C1C[NH+](CCC1C(=O)N2CCN(CC2)C/C=C/C3=CC=CC=C3)CC4=CC=CS4

InChI

InChI=1S/C24H31N3OS/c28-24(22-10-13-26(14-11-22)20-23-9-5-19-29-23)27-17-15-25(16-18-27)12-4-8-21-6-2-1-3-7-21/h1-9,19,22H,10-18,20H2/p+1/b8-4+