2-chloranyl-6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzaldehyde

Systemtic Name: 2-chloranyl-6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzaldehyde Openeye Name: 2-chloro-6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzaldehyde CAS Name: 2-chloro-6-[4-(2-pyridin-1-iumyl)-1-piperazinyl]benzaldehyde IUPAC Name: 2-chloro-6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzaldehyde Traditional Name: 2-chloro-6-(4-pyridin-1-ium-2-ylpiperazino)benzaldehyde Formula: C16H17ClN3O+ MolecularWeight: 302.77868

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=CC=C2)Cl)C=O)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CCN1C2=C(C(=CC=C2)Cl)C=O)C3=CC=CC=[NH+]3

InChI

InChI=1S/C16H16ClN3O/c17-14-4-3-5-15(13(14)12-21)19-8-10-20(11-9-19)16-6-1-2-7-18-16/h1-7,12H,8-11H2/p+1