3-(phenylmethyl)hexan-2-yl-[6-[3-(phenylmethyl)hexan-2-ylazaniumyl]hexyl]azanium

Systemtic Name: 3-(phenylmethyl)hexan-2-yl-[6-[3-(phenylmethyl)hexan-2-ylazaniumyl]hexyl]azanium Openeye Name: (2-benzyl-1-methyl-pentyl)-[6-[(2-benzyl-1-methyl-pentyl)ammonio]hexyl]ammonium CAS Name: 3-(phenylmethyl)hexan-2-yl-[6-[3-(phenylmethyl)hexan-2-ylammonio]hexyl]ammonium IUPAC Name: 3-benzylhexan-2-yl-[6-(3-benzylhexan-2-ylazaniumyl)hexyl]azanium Traditional Name: (2-benzyl-1-methyl-pentyl)-[6-[(2-benzyl-1-methyl-pentyl)ammonio]hexyl]ammonium Formula: C32H54N2+2 MolecularWeight: 466.78456

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC1=CC=CC=C1)C(C)[NH2+]CCCCCC[NH2+]C(C)C(CCC)CC2=CC=CC=C2

Isomeric SMILES

CCCC(CC1=CC=CC=C1)C(C)[NH2+]CCCCCC[NH2+]C(C)C(CCC)CC2=CC=CC=C2

InChI

InChI=1S/C32H52N2/c1-5-17-31(25-29-19-11-9-12-20-29)27(3)33-23-15-7-8-16-24-34-28(4)32(18-6-2)26-30-21-13-10-14-22-30/h9-14,19-22,27-28,31-34H,5-8,15-18,23-26H2,1-4H3/p+2