[(2S)-5-methylhexan-2-yl]-[(4-prop-2-enoxyphenyl)methyl]azanium

Systemtic Name: [(2S)-5-methylhexan-2-yl]-[(4-prop-2-enoxyphenyl)methyl]azanium Openeye Name: (4-allyloxyphenyl)methyl-[(1S)-1,4-dimethylpentyl]ammonium CAS Name: [(2S)-5-methylhexan-2-yl]-[(4-prop-2-enoxyphenyl)methyl]ammonium IUPAC Name: [(2S)-5-methylhexan-2-yl]-[(4-prop-2-enoxyphenyl)methyl]azanium Traditional Name: (4-allyloxybenzyl)-[(1S)-1,4-dimethylpentyl]ammonium Formula: C17H28NO+ MolecularWeight: 262.41032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)[NH2+]CC1=CC=C(C=C1)OCC=C

Isomeric SMILES

C[C@@H](CCC(C)C)[NH2+]CC1=CC=C(C=C1)OCC=C

InChI

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