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

Systemtic Name: [2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl-[(E)-3-(2-methoxyphenyl)prop-2-enyl]azanium Openeye Name: [2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl-[(E)-3-(2-methoxyphenyl)allyl]ammonium CAS Name: [2-(4-acetyl-1-piperazinyl)-3-pyridin-1-iumyl]methyl-[(E)-3-(2-methoxyphenyl)prop-2-enyl]ammonium IUPAC Name: [2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl-[(E)-3-(2-methoxyphenyl)prop-2-enyl]azanium Traditional Name: [2-(4-acetylpiperazino)pyridin-1-ium-3-yl]methyl-[(E)-3-(2-methoxyphenyl)allyl]ammonium Formula: C22H30N4O2+2 MolecularWeight: 382.4992

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)C[NH2+]CC=CC3=CC=CC=C3OC

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)C[NH2+]C/C=C/C3=CC=CC=C3OC

InChI

InChI=1S/C22H28N4O2/c1-18(27)25-13-15-26(16-14-25)22-20(9-6-12-24-22)17-23-11-5-8-19-7-3-4-10-21(19)28-2/h3-10,12,23H,11,13-17H2,1-2H3/p+2/b8-5+