[(2R)-1-azaniumylheptan-2-yl]-methyl-[(4-methylphenyl)methyl]azanium

Systemtic Name: [(2R)-1-azaniumylheptan-2-yl]-methyl-[(4-methylphenyl)methyl]azanium Openeye Name: [(1R)-1-(azaniumylmethyl)hexyl]-methyl-(p-tolylmethyl)ammonium CAS Name: [(2R)-1-ammonioheptan-2-yl]-methyl-[(4-methylphenyl)methyl]ammonium IUPAC Name: [(2R)-1-azaniumylheptan-2-yl]-methyl-[(4-methylphenyl)methyl]azanium Traditional Name: [(1R)-1-(ammoniomethyl)hexyl]-methyl-(4-methylbenzyl)ammonium Formula: C16H30N2+2 MolecularWeight: 250.4228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C[NH3+])[NH+](C)CC1=CC=C(C=C1)C

Isomeric SMILES

CCCCC[C@H](C[NH3+])[NH+](C)CC1=CC=C(C=C1)C

InChI

InChI=1S/C16H28N2/c1-4-5-6-7-16(12-17)18(3)13-15-10-8-14(2)9-11-15/h8-11,16H,4-7,12-13,17H2,1-3H3/p+2/t16-/m1/s1