[(2R)-2-(azepan-1-ium-1-yl)-2-(2,4,6-trimethylphenyl)ethyl]azanium

Systemtic Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(2,4,6-trimethylphenyl)ethyl]azanium Openeye Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(2,4,6-trimethylphenyl)ethyl]ammonium CAS Name: [(2R)-2-(1-azepan-1-iumyl)-2-(2,4,6-trimethylphenyl)ethyl]ammonium IUPAC Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(2,4,6-trimethylphenyl)ethyl]azanium Traditional Name: [(2R)-2-(azepan-1-ium-1-yl)-2-mesityl-ethyl]ammonium Formula: C17H30N2+2 MolecularWeight: 262.4335

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(C[NH3+])[NH+]2CCCCCC2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)[C@H](C[NH3+])[NH+]2CCCCCC2)C

InChI

InChI=1S/C17H28N2/c1-13-10-14(2)17(15(3)11-13)16(12-18)19-8-6-4-5-7-9-19/h10-11,16H,4-9,12,18H2,1-3H3/p+2/t16-/m0/s1