[2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl-[(E)-2-methyl-3-phenyl-prop-2-enyl]azanium

Systemtic Name: [2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl-[(E)-2-methyl-3-phenyl-prop-2-enyl]azanium Openeye Name: [2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl-[(E)-2-methyl-3-phenyl-allyl]ammonium CAS Name: [2-(4-acetyl-1-piperazinyl)-3-pyridin-1-iumyl]methyl-[(E)-2-methyl-3-phenylprop-2-enyl]ammonium IUPAC Name: [2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl-[(E)-2-methyl-3-phenylprop-2-enyl]azanium Traditional Name: [2-(4-acetylpiperazino)pyridin-1-ium-3-yl]methyl-[(E)-2-methyl-3-phenyl-allyl]ammonium Formula: C22H30N4O+2 MolecularWeight: 366.4998

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1)C[NH2+]CC2=C([NH+]=CC=C2)N3CCN(CC3)C(=O)C

Isomeric SMILES

C/C(=C\C1=CC=CC=C1)/C[NH2+]CC2=C([NH+]=CC=C2)N3CCN(CC3)C(=O)C

InChI

InChI=1S/C22H28N4O/c1-18(15-20-7-4-3-5-8-20)16-23-17-21-9-6-10-24-22(21)26-13-11-25(12-14-26)19(2)27/h3-10,15,23H,11-14,16-17H2,1-2H3/p+2/b18-15+