carbamimidoyl(dodecyl)azanium; 2-chloranyl-6-(methylamino)pyridine-4-carboxylate

Systemtic Name: carbamimidoyl(dodecyl)azanium; 2-chloranyl-6-(methylamino)pyridine-4-carboxylate Openeye Name: carbamimidoyl(dodecyl)ammonium; 2-chloro-6-(methylamino)pyridine-4-carboxylate CAS Name: carbamimidoyl(dodecyl)ammonium; 2-chloro-6-(methylamino)-4-pyridinecarboxylate IUPAC Name: carbamimidoyl(dodecyl)azanium; 2-chloro-6-(methylamino)pyridine-4-carboxylate Traditional Name: amidino(lauryl)ammonium; 2-chloro-6-(methylamino)isonicotinate Formula: C20H36ClN5O2 MolecularWeight: 413.98514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[NH2+]C(=N)N.CNC1=NC(=CC(=C1)C(=O)[O-])Cl

Isomeric SMILES

CCCCCCCCCCCC[NH2+]C(=N)N.CNC1=NC(=CC(=C1)C(=O)[O-])Cl

InChI

InChI=1S/C13H29N3.C7H7ClN2O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;1-9-6-3-4(7(11)12)2-5(8)10-6/h2-12H2,1H3,(H4,14,15,16);2-3H,1H3,(H,9,10)(H,11,12)