di(butan-2-yl)-(1-iodanylprop-2-ynyl)-(phenylmethyl)azanium chloride

Systemtic Name: di(butan-2-yl)-(1-iodanylprop-2-ynyl)-(phenylmethyl)azanium chloride Openeye Name: benzyl-(1-iodoprop-2-ynyl)-disec-butyl-ammonium chloride CAS Name: di(butan-2-yl)-(1-iodoprop-2-ynyl)-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-di(butan-2-yl)-(1-iodoprop-2-ynyl)azanium chloride Traditional Name: benzyl-(1-iodoprop-2-ynyl)-disec-butyl-ammonium chloride Formula: C18H27ClIN MolecularWeight: 419.77115

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[N+](CC1=CC=CC=C1)(C(C)CC)C(C#C)I.[Cl-]

Isomeric SMILES

CCC(C)[N+](CC1=CC=CC=C1)(C(C)CC)C(C#C)I.[Cl-]

InChI

InChI=1S/C18H27IN.ClH/c1-6-15(4)20(16(5)7-2,18(19)8-3)14-17-12-10-9-11-13-17;/h3,9-13,15-16,18H,6-7,14H2,1-2,4-5H3;1H/q+1;/p-1