[(2R)-2-(azocan-1-ium-1-yl)-2-(3-methylphenyl)ethyl]azanium

Systemtic Name: [(2R)-2-(azocan-1-ium-1-yl)-2-(3-methylphenyl)ethyl]azanium Openeye Name: [(2R)-2-(azocan-1-ium-1-yl)-2-(m-tolyl)ethyl]ammonium CAS Name: [(2R)-2-(1-azocan-1-iumyl)-2-(3-methylphenyl)ethyl]ammonium IUPAC Name: [(2R)-2-(azocan-1-ium-1-yl)-2-(3-methylphenyl)ethyl]azanium Traditional Name: [(2R)-2-(azocan-1-ium-1-yl)-2-(m-tolyl)ethyl]ammonium Formula: C16H28N2+2 MolecularWeight: 248.40692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2/c1-14-8-7-9-15(12-14)16(13-17)18-10-5-3-2-4-6-11-18/h7-9,12,16H,2-6,10-11,13,17H2,1H3/p+2/t16-/m0/s1