6-bromanyl-2-(4-phenylpiperazin-1-yl)quinolin-1-ium-3-carbaldehyde

Systemtic Name: 6-bromanyl-2-(4-phenylpiperazin-1-yl)quinolin-1-ium-3-carbaldehyde Openeye Name: 6-bromo-2-(4-phenylpiperazin-1-yl)quinolin-1-ium-3-carbaldehyde CAS Name: 6-bromo-2-(4-phenyl-1-piperazinyl)-3-quinolin-1-iumcarboxaldehyde IUPAC Name: 6-bromo-2-(4-phenylpiperazin-1-yl)quinolin-1-ium-3-carbaldehyde Traditional Name: 6-bromo-2-(4-phenylpiperazino)quinolin-1-ium-3-carbaldehyde Formula: C20H19BrN3O+ MolecularWeight: 397.28836

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=C(C=C4C=C(C=CC4=[NH+]3)Br)C=O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C(C=C4C=C(C=CC4=[NH+]3)Br)C=O

InChI

InChI=1S/C20H18BrN3O/c21-17-6-7-19-15(13-17)12-16(14-25)20(22-19)24-10-8-23(9-11-24)18-4-2-1-3-5-18/h1-7,12-14H,8-11H2/p+1