[(1S)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]-[(2R)-5-methylhexan-2-yl]azanium

Systemtic Name: [(1S)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]-[(2R)-5-methylhexan-2-yl]azanium Openeye Name: [(1R)-1,4-dimethylpentyl]-[(1S)-1-(7-methoxybenzofuran-2-yl)ethyl]ammonium CAS Name: [(1S)-1-(7-methoxy-2-benzofuranyl)ethyl]-[(2R)-5-methylhexan-2-yl]ammonium IUPAC Name: [(1S)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]-[(2R)-5-methylhexan-2-yl]azanium Traditional Name: [(1R)-1,4-dimethylpentyl]-[(1S)-1-(7-methoxybenzofuran-2-yl)ethyl]ammonium Formula: C18H28NO2+ MolecularWeight: 290.42042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)[NH2+]C(C)C1=CC2=C(O1)C(=CC=C2)OC

Isomeric SMILES

C[C@H](CCC(C)C)[NH2+][C@@H](C)C1=CC2=C(O1)C(=CC=C2)OC

InChI

InChI=1S/C18H27NO2/c1-12(2)9-10-13(3)19-14(4)17-11-15-7-6-8-16(20-5)18(15)21-17/h6-8,11-14,19H,9-10H2,1-5H3/p+1/t13-,14+/m1/s1