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

Systemtic Name: [4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-[(3S)-1-pyrazin-2-ylcarbonylpiperidin-3-yl]methanone Openeye Name: [4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-[(3S)-1-(pyrazine-2-carbonyl)-3-piperidyl]methanone CAS Name: [(3S)-1-[oxo(2-pyrazinyl)methyl]-3-piperidinyl]-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methanone IUPAC Name: [4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methanone Traditional Name: [4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-[(3S)-1-pyrazinoyl-3-piperidyl]methanone Formula: C24H30N5O2+ MolecularWeight: 420.5273

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=NC=CN=C2)C(=O)N3CC[NH+](CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=NC=CN=C2)C(=O)N3CC[NH+](CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C24H29N5O2/c30-23(21-9-5-13-29(19-21)24(31)22-18-25-10-11-26-22)28-16-14-27(15-17-28)12-4-8-20-6-2-1-3-7-20/h1-4,6-8,10-11,18,21H,5,9,12-17,19H2/p+1/b8-4+/t21-/m0/s1