1-[4-[(E)-N-methoxy-C-methyl-carbonimidoyl]-4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]-3,3-diphenyl-propan-1-one iodide

Systemtic Name: 1-[4-[(E)-N-methoxy-C-methyl-carbonimidoyl]-4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]-3,3-diphenyl-propan-1-one iodide Openeye Name: 1-[4-[(E)-N-methoxy-C-methyl-carbonimidoyl]-4-(2-pyridylmethyl)piperazin-4-ium-1-yl]-3,3-diphenyl-propan-1-one iodide CAS Name: 1-[4-[(1E)-1-methoxyiminoethyl]-4-(2-pyridinylmethyl)-1-piperazin-4-iumyl]-3,3-diphenyl-1-propanone iodide IUPAC Name: 1-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]-4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]-3,3-diphenylpropan-1-one iodide Traditional Name: 1-[4-[(E)-N-methoxy-C-methyl-carbonimidoyl]-4-(2-pyridylmethyl)piperazin-4-ium-1-yl]-3,3-diphenyl-propan-1-one iodide Formula: C28H33IN4O2 MolecularWeight: 584.49169

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NOC)[N+]1(CCN(CC1)C(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3)CC4=CC=CC=N4.[I-]

Isomeric SMILES

C/C(=N\OC)/[N+]1(CCN(CC1)C(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3)CC4=CC=CC=N4.[I-]

InChI

InChI=1S/C28H33N4O2.HI/c1-23(30-34-2)32(22-26-15-9-10-16-29-26)19-17-31(18-20-32)28(33)21-27(24-11-5-3-6-12-24)25-13-7-4-8-14-25;/h3-16,27H,17-22H2,1-2H3;1H/q+1;/p-1/b30-23+;