(S)-methyl-[(2S)-4-methyl-1-oxidanyl-pentan-2-yl]-(phenylmethyl)-prop-2-enyl-azanium

Systemtic Name: (S)-methyl-[(2S)-4-methyl-1-oxidanyl-pentan-2-yl]-(phenylmethyl)-prop-2-enyl-azanium Openeye Name: (S)-allyl-benzyl-[(1S)-1-(hydroxymethyl)-3-methyl-butyl]-methyl-ammonium CAS Name: (S)-[(2S)-1-hydroxy-4-methylpentan-2-yl]-methyl-(phenylmethyl)-prop-2-enylammonium IUPAC Name: (S)-benzyl-[(2S)-1-hydroxy-4-methylpentan-2-yl]-methyl-prop-2-enylazanium Traditional Name: (S)-allyl-benzyl-methyl-[(1S)-3-methyl-1-methylol-butyl]ammonium Formula: C17H28NO+ MolecularWeight: 262.41032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CO)[N+](C)(CC=C)CC1=CC=CC=C1

Isomeric SMILES

CC(C)C[C@@H](CO)[N@@+](C)(CC=C)CC1=CC=CC=C1

InChI

InChI=1S/C17H28NO/c1-5-11-18(4,17(14-19)12-15(2)3)13-16-9-7-6-8-10-16/h5-10,15,17,19H,1,11-14H2,2-4H3/q+1/t17-,18-/m0/s1