[(2S)-butan-2-yl]-[4-(2-methoxy-4-prop-2-enyl-phenoxy)butyl]azanium

Systemtic Name: [(2S)-butan-2-yl]-[4-(2-methoxy-4-prop-2-enyl-phenoxy)butyl]azanium Openeye Name: 4-(4-allyl-2-methoxy-phenoxy)butyl-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]azanium Traditional Name: 4-(4-allyl-2-methoxy-phenoxy)butyl-[(1S)-1-methylpropyl]ammonium Formula: C18H30NO2+ MolecularWeight: 292.4363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]CCCCOC1=C(C=C(C=C1)CC=C)OC

Isomeric SMILES

CC[C@H](C)[NH2+]CCCCOC1=C(C=C(C=C1)CC=C)OC

InChI

InChI=1S/C18H29NO2/c1-5-9-16-10-11-17(18(14-16)20-4)21-13-8-7-12-19-15(3)6-2/h5,10-11,14-15,19H,1,6-9,12-13H2,2-4H3/p+1/t15-/m0/s1