4-(2,3-dihydroindol-1-yl)-1-heptyl-pyrimidin-1-ium-2-amine iodide

Systemtic Name: 4-(2,3-dihydroindol-1-yl)-1-heptyl-pyrimidin-1-ium-2-amine iodide Openeye Name: 1-heptyl-4-indolin-1-yl-pyrimidin-1-ium-2-amine iodide CAS Name: 4-(2,3-dihydroindol-1-yl)-1-heptyl-2-pyrimidin-1-iumamine iodide IUPAC Name: 4-(2,3-dihydroindol-1-yl)-1-heptylpyrimidin-1-ium-2-amine iodide Traditional Name: (1-heptyl-4-indolin-1-yl-pyrimidin-1-ium-2-yl)amine iodide Formula: C19H27IN4 MolecularWeight: 438.34895

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+]1=C(N=C(C=C1)N2CCC3=CC=CC=C32)N.[I-]

Isomeric SMILES

CCCCCCC[N+]1=C(N=C(C=C1)N2CCC3=CC=CC=C32)N.[I-]

InChI

InChI=1S/C19H26N4.HI/c1-2-3-4-5-8-13-22-14-12-18(21-19(22)20)23-15-11-16-9-6-7-10-17(16)23;/h6-7,9-10,12,14,20H,2-5,8,11,13,15H2,1H3;1H