1-dodecyl-3-phenylazanyl-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione

Systemtic Name: 1-dodecyl-3-phenylazanyl-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione Openeye Name: 3-anilino-1-dodecyl-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione CAS Name: 3-anilino-1-dodecyl-4-(1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 3-anilino-1-dodecyl-4-pyridin-1-ium-1-ylpyrrole-2,5-dione Traditional Name: 3-anilino-1-lauryl-4-pyridin-1-ium-1-yl-3-pyrroline-2,5-quinone Formula: C27H36N3O2+ MolecularWeight: 434.59364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C(=O)C(=C(C1=O)[N+]2=CC=CC=C2)NC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCN1C(=O)C(=C(C1=O)[N+]2=CC=CC=C2)NC3=CC=CC=C3

InChI

InChI=1S/C27H35N3O2/c1-2-3-4-5-6-7-8-9-10-17-22-30-26(31)24(28-23-18-13-11-14-19-23)25(27(30)32)29-20-15-12-16-21-29/h11-16,18-21H,2-10,17,22H2,1H3/p+1