[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-propan-2-yl-azanium

Systemtic Name: [(1S)-1-(3,4-dipropoxyphenyl)ethyl]-propan-2-yl-azanium Openeye Name: [(1S)-1-(3,4-dipropoxyphenyl)ethyl]-isopropyl-ammonium CAS Name: [(1S)-1-(3,4-dipropoxyphenyl)ethyl]-propan-2-ylammonium IUPAC Name: [(1S)-1-(3,4-dipropoxyphenyl)ethyl]-propan-2-ylazanium Traditional Name: [(1S)-1-(3,4-dipropoxyphenyl)ethyl]-isopropyl-ammonium Formula: C17H30NO2+ MolecularWeight: 280.4256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29NO2/c1-6-10-19-16-9-8-15(14(5)18-13(3)4)12-17(16)20-11-7-2/h8-9,12-14,18H,6-7,10-11H2,1-5H3/p+1/t14-/m0/s1