[(1S)-1-(3-ethyl-1-benzofuran-2-yl)ethyl]-[(2R)-5-methylhexan-2-yl]azanium

Systemtic Name: [(1S)-1-(3-ethyl-1-benzofuran-2-yl)ethyl]-[(2R)-5-methylhexan-2-yl]azanium Openeye Name: [(1R)-1,4-dimethylpentyl]-[(1S)-1-(3-ethylbenzofuran-2-yl)ethyl]ammonium CAS Name: [(1S)-1-(3-ethyl-2-benzofuranyl)ethyl]-[(2R)-5-methylhexan-2-yl]ammonium IUPAC Name: [(1S)-1-(3-ethyl-1-benzofuran-2-yl)ethyl]-[(2R)-5-methylhexan-2-yl]azanium Traditional Name: [(1R)-1,4-dimethylpentyl]-[(1S)-1-(3-ethylbenzofuran-2-yl)ethyl]ammonium Formula: C19H30NO+ MolecularWeight: 288.4476

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(OC2=CC=CC=C21)C(C)[NH2+]C(C)CCC(C)C

Isomeric SMILES

CCC1=C(OC2=CC=CC=C21)[C@H](C)[NH2+][C@H](C)CCC(C)C

InChI

InChI=1S/C19H29NO/c1-6-16-17-9-7-8-10-18(17)21-19(16)15(5)20-14(4)12-11-13(2)3/h7-10,13-15,20H,6,11-12H2,1-5H3/p+1/t14-,15+/m1/s1