[(2S)-butan-2-yl]-[3-(2-methyl-6-prop-2-enyl-phenoxy)propyl]azanium

Systemtic Name: [(2S)-butan-2-yl]-[3-(2-methyl-6-prop-2-enyl-phenoxy)propyl]azanium Openeye Name: 3-(2-allyl-6-methyl-phenoxy)propyl-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[3-(2-methyl-6-prop-2-enylphenoxy)propyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[3-(2-methyl-6-prop-2-enylphenoxy)propyl]azanium Traditional Name: 3-(2-allyl-6-methyl-phenoxy)propyl-[(1S)-1-methylpropyl]ammonium Formula: C17H28NO+ MolecularWeight: 262.41032

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]CCCOC1=C(C=CC=C1CC=C)C

Isomeric SMILES

CC[C@H](C)[NH2+]CCCOC1=C(C=CC=C1CC=C)C

InChI

InChI=1S/C17H27NO/c1-5-9-16-11-7-10-14(3)17(16)19-13-8-12-18-15(4)6-2/h5,7,10-11,15,18H,1,6,8-9,12-13H2,2-4H3/p+1/t15-/m0/s1