8-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carbaldehyde

Systemtic Name: 8-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carbaldehyde Openeye Name: 8-chloro-2-(4-ethylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carbaldehyde CAS Name: 8-chloro-2-(4-ethyl-1-piperazin-4-iumyl)-3-quinolin-1-iumcarboxaldehyde IUPAC Name: 8-chloro-2-(4-ethylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carbaldehyde Traditional Name: 8-chloro-2-(4-ethylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carbaldehyde Formula: C16H20ClN3O+2 MolecularWeight: 305.8025

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C3C=CC=C(C3=[NH+]2)Cl)C=O

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C3C=CC=C(C3=[NH+]2)Cl)C=O

InChI

InChI=1S/C16H18ClN3O/c1-2-19-6-8-20(9-7-19)16-13(11-21)10-12-4-3-5-14(17)15(12)18-16/h3-5,10-11H,2,6-9H2,1H3/p+2