1-[[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]amino]methylidene]naphthalen-2-one

Systemtic Name: 1-[[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]amino]methylidene]naphthalen-2-one Openeye Name: 1-[[4-(4-benzylpiperazin-4-ium-1-yl)anilino]methylene]naphthalen-2-one CAS Name: 1-[[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]anilino]methylidene]-2-naphthalenone IUPAC Name: 1-[[4-(4-benzylpiperazin-4-ium-1-yl)anilino]methylidene]naphthalen-2-one Traditional Name: 1-[[4-(4-benzylpiperazin-4-ium-1-yl)anilino]methylene]naphthalen-2-one Formula: C28H28N3O+ MolecularWeight: 422.54142

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC=C4C(=O)C=CC5=CC=CC=C54

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC=C4C(=O)C=CC5=CC=CC=C54

InChI

InChI=1S/C28H27N3O/c32-28-15-10-23-8-4-5-9-26(23)27(28)20-29-24-11-13-25(14-12-24)31-18-16-30(17-19-31)21-22-6-2-1-3-7-22/h1-15,20,29H,16-19,21H2/p+1