4-phenylazanyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]naphthalene-1,5-dione

Systemtic Name: 4-phenylazanyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]naphthalene-1,5-dione Openeye Name: 4-anilino-2-(4-benzylpiperazin-4-ium-1-yl)naphthalene-1,5-dione CAS Name: 4-anilino-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]naphthalene-1,5-dione IUPAC Name: 4-anilino-2-(4-benzylpiperazin-4-ium-1-yl)naphthalene-1,5-dione Traditional Name: 4-anilino-2-(4-benzylpiperazin-4-ium-1-yl)naphthalene-1,5-quinone Formula: C27H26N3O2+ MolecularWeight: 424.51424

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC(=C4C(=O)C=CC=C4C3=O)NC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC(=C4C(=O)C=CC=C4C3=O)NC5=CC=CC=C5

InChI

InChI=1S/C27H25N3O2/c31-25-13-7-12-22-26(25)23(28-21-10-5-2-6-11-21)18-24(27(22)32)30-16-14-29(15-17-30)19-20-8-3-1-4-9-20/h1-13,18,28H,14-17,19H2/p+1