[(1S)-1-(4-phenylmethoxyphenyl)ethyl]-prop-2-ynyl-azanium

Systemtic Name: [(1S)-1-(4-phenylmethoxyphenyl)ethyl]-prop-2-ynyl-azanium Openeye Name: [(1S)-1-(4-benzyloxyphenyl)ethyl]-prop-2-ynyl-ammonium CAS Name: [(1S)-1-(4-phenylmethoxyphenyl)ethyl]-prop-2-ynylammonium IUPAC Name: [(1S)-1-(4-phenylmethoxyphenyl)ethyl]-prop-2-ynylazanium Traditional Name: [(1S)-1-(4-benzoxyphenyl)ethyl]-propargyl-ammonium Formula: C18H20NO+ MolecularWeight: 266.3575

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)OCC2=CC=CC=C2)[NH2+]CC#C

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)OCC2=CC=CC=C2)[NH2+]CC#C

InChI

InChI=1S/C18H19NO/c1-3-13-19-15(2)17-9-11-18(12-10-17)20-14-16-7-5-4-6-8-16/h1,4-12,15,19H,13-14H2,2H3/p+1/t15-/m0/s1