[(2R)-2-(azocan-1-ium-1-yl)-2-(2-methylphenyl)ethyl]azanium

Systemtic Name: [(2R)-2-(azocan-1-ium-1-yl)-2-(2-methylphenyl)ethyl]azanium Openeye Name: [(2R)-2-(azocan-1-ium-1-yl)-2-(o-tolyl)ethyl]ammonium CAS Name: [(2R)-2-(1-azocan-1-iumyl)-2-(2-methylphenyl)ethyl]ammonium IUPAC Name: [(2R)-2-(azocan-1-ium-1-yl)-2-(2-methylphenyl)ethyl]azanium Traditional Name: [(2R)-2-(azocan-1-ium-1-yl)-2-(o-tolyl)ethyl]ammonium Formula: C16H28N2+2 MolecularWeight: 248.40692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C[NH3+])[NH+]2CCCCCCC2

Isomeric SMILES

CC1=CC=CC=C1[C@H](C[NH3+])[NH+]2CCCCCCC2

InChI

InChI=1S/C16H26N2/c1-14-9-5-6-10-15(14)16(13-17)18-11-7-3-2-4-8-12-18/h5-6,9-10,16H,2-4,7-8,11-13,17H2,1H3/p+2/t16-/m0/s1