[(1S)-1-(4-ethylphenyl)-2-(4-methylpentoxy)ethyl]azanium

Systemtic Name: [(1S)-1-(4-ethylphenyl)-2-(4-methylpentoxy)ethyl]azanium Openeye Name: [(1S)-1-(4-ethylphenyl)-2-isohexyloxy-ethyl]ammonium CAS Name: [(1S)-1-(4-ethylphenyl)-2-(4-methylpentoxy)ethyl]ammonium IUPAC Name: [(1S)-1-(4-ethylphenyl)-2-(4-methylpentoxy)ethyl]azanium Traditional Name: [(1S)-1-(4-ethylphenyl)-2-isohexyloxy-ethyl]ammonium Formula: C16H28NO+ MolecularWeight: 250.39962

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(COCCCC(C)C)[NH3+]

Isomeric SMILES

CCC1=CC=C(C=C1)[C@@H](COCCCC(C)C)[NH3+]

InChI

InChI=1S/C16H27NO/c1-4-14-7-9-15(10-8-14)16(17)12-18-11-5-6-13(2)3/h7-10,13,16H,4-6,11-12,17H2,1-3H3/p+1/t16-/m1/s1