2-bromanyl-6-methoxy-4-[[[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]amino]methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 2-bromanyl-6-methoxy-4-[[[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]amino]methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 2-bromo-6-methoxy-4-[[[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]amino]methylene]cyclohexa-2,5-dien-1-one CAS Name: 2-bromo-6-methoxy-4-[[[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]amino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2-bromo-6-methoxy-4-[[[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]amino]methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 2-bromo-6-methoxy-4-[[[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]amino]methylene]cyclohexa-2,5-dien-1-one Formula: C23H25BrN3O2+ MolecularWeight: 455.3675

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNN2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43)C=C(C1=O)Br

Isomeric SMILES

COC1=CC(=CNN2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43)C=C(C1=O)Br

InChI

InChI=1S/C23H24BrN3O2/c1-29-22-14-17(13-21(24)23(22)28)15-25-27-11-9-26(10-12-27)16-19-7-4-6-18-5-2-3-8-20(18)19/h2-8,13-15,25H,9-12,16H2,1H3/p+1