2-[2-azanyl-3-(2-piperazin-1-ylphenyl)pyridin-1-ium-1-yl]ethanal chloride

Systemtic Name: 2-[2-azanyl-3-(2-piperazin-1-ylphenyl)pyridin-1-ium-1-yl]ethanal chloride Openeye Name: 2-[2-amino-3-(2-piperazin-1-ylphenyl)pyridin-1-ium-1-yl]acetaldehyde chloride CAS Name: 2-[2-amino-3-[2-(1-piperazinyl)phenyl]-1-pyridin-1-iumyl]acetaldehyde chloride IUPAC Name: 2-[2-amino-3-(2-piperazin-1-ylphenyl)pyridin-1-ium-1-yl]acetaldehyde chloride Traditional Name: 2-[2-amino-3-(2-piperazinophenyl)pyridin-1-ium-1-yl]acetaldehyde chloride Formula: C17H21ClN4O MolecularWeight: 332.82784

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC=CC=C2C3=C([N+](=CC=C3)CC=O)N.[Cl-]

Isomeric SMILES

C1CN(CCN1)C2=CC=CC=C2C3=C([N+](=CC=C3)CC=O)N.[Cl-]

InChI

InChI=1S/C17H20N4O.ClH/c18-17-15(5-3-9-21(17)12-13-22)14-4-1-2-6-16(14)20-10-7-19-8-11-20;/h1-6,9,13,18-19H,7-8,10-12H2;1H