2-chloranyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]naphthalene-1,4-dione

Systemtic Name: 2-chloranyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]naphthalene-1,4-dione Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)-3-chloro-naphthalene-1,4-dione CAS Name: 2-chloro-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]naphthalene-1,4-dione IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)-3-chloronaphthalene-1,4-dione Traditional Name: 2-(4-benzylpiperazin-4-ium-1-yl)-3-chloro-1,4-naphthoquinone Formula: C21H20ClN2O2+ MolecularWeight: 367.8487

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C(=O)C4=CC=CC=C4C3=O)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C(=O)C4=CC=CC=C4C3=O)Cl

InChI

InChI=1S/C21H19ClN2O2/c22-18-19(21(26)17-9-5-4-8-16(17)20(18)25)24-12-10-23(11-13-24)14-15-6-2-1-3-7-15/h1-9H,10-14H2/p+1