[(2S)-6-methylheptan-2-yl]-[(4-prop-2-enoxyphenyl)methyl]azanium

Systemtic Name: [(2S)-6-methylheptan-2-yl]-[(4-prop-2-enoxyphenyl)methyl]azanium Openeye Name: (4-allyloxyphenyl)methyl-[(1S)-1,5-dimethylhexyl]ammonium CAS Name: [(2S)-6-methylheptan-2-yl]-[(4-prop-2-enoxyphenyl)methyl]ammonium IUPAC Name: [(2S)-6-methylheptan-2-yl]-[(4-prop-2-enoxyphenyl)methyl]azanium Traditional Name: (4-allyloxybenzyl)-[(1S)-1,5-dimethylhexyl]ammonium Formula: C18H30NO+ MolecularWeight: 276.4369

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29NO/c1-5-13-20-18-11-9-17(10-12-18)14-19-16(4)8-6-7-15(2)3/h5,9-12,15-16,19H,1,6-8,13-14H2,2-4H3/p+1/t16-/m0/s1