[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-prop-2-ynyl-azanium

Systemtic Name: [(1S)-1-(3,4-dipropoxyphenyl)ethyl]-prop-2-ynyl-azanium Openeye Name: [(1S)-1-(3,4-dipropoxyphenyl)ethyl]-prop-2-ynyl-ammonium CAS Name: [(1S)-1-(3,4-dipropoxyphenyl)ethyl]-prop-2-ynylammonium IUPAC Name: [(1S)-1-(3,4-dipropoxyphenyl)ethyl]-prop-2-ynylazanium Traditional Name: [(1S)-1-(3,4-dipropoxyphenyl)ethyl]-propargyl-ammonium Formula: C17H26NO2+ MolecularWeight: 276.39384

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(C)[NH2+]CC#C)OCCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)[C@H](C)[NH2+]CC#C)OCCC

InChI

InChI=1S/C17H25NO2/c1-5-10-18-14(4)15-8-9-16(19-11-6-2)17(13-15)20-12-7-3/h1,8-9,13-14,18H,6-7,10-12H2,2-4H3/p+1/t14-/m0/s1