[(2R)-2-(azocan-1-ium-1-yl)-2-(4-ethylphenyl)ethyl]azanium

Systemtic Name: [(2R)-2-(azocan-1-ium-1-yl)-2-(4-ethylphenyl)ethyl]azanium Openeye Name: [(2R)-2-(azocan-1-ium-1-yl)-2-(4-ethylphenyl)ethyl]ammonium CAS Name: [(2R)-2-(1-azocan-1-iumyl)-2-(4-ethylphenyl)ethyl]ammonium IUPAC Name: [(2R)-2-(azocan-1-ium-1-yl)-2-(4-ethylphenyl)ethyl]azanium Traditional Name: [(2R)-2-(azocan-1-ium-1-yl)-2-(4-ethylphenyl)ethyl]ammonium Formula: C17H30N2+2 MolecularWeight: 262.4335

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C[NH3+])[NH+]2CCCCCCC2

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C[NH3+])[NH+]2CCCCCCC2

InChI

InChI=1S/C17H28N2/c1-2-15-8-10-16(11-9-15)17(14-18)19-12-6-4-3-5-7-13-19/h8-11,17H,2-7,12-14,18H2,1H3/p+2/t17-/m0/s1