4-bromanyl-6-[[[4-(phenylmethyl)piperazin-4-ium-1-yl]amino]methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 4-bromanyl-6-[[[4-(phenylmethyl)piperazin-4-ium-1-yl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[[(4-benzylpiperazin-4-ium-1-yl)amino]methylene]-4-bromo-cyclohexa-2,4-dien-1-one CAS Name: 4-bromo-6-[[[4-(phenylmethyl)-1-piperazin-4-iumyl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[(4-benzylpiperazin-4-ium-1-yl)amino]methylidene]-4-bromocyclohexa-2,4-dien-1-one Traditional Name: 6-[[(4-benzylpiperazin-4-ium-1-yl)amino]methylene]-4-bromo-cyclohexa-2,4-dien-1-one Formula: C18H21BrN3O+ MolecularWeight: 375.28284

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)NC=C3C=C(C=CC3=O)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)NC=C3C=C(C=CC3=O)Br

InChI

InChI=1S/C18H20BrN3O/c19-17-6-7-18(23)16(12-17)13-20-22-10-8-21(9-11-22)14-15-4-2-1-3-5-15/h1-7,12-13,20H,8-11,14H2/p+1