(3,4-dimethylphenyl)methyl-[(2S)-3-oxidanyl-3-prop-2-enyl-hex-5-en-2-yl]azanium

Systemtic Name: (3,4-dimethylphenyl)methyl-[(2S)-3-oxidanyl-3-prop-2-enyl-hex-5-en-2-yl]azanium Openeye Name: [(1S)-2-allyl-2-hydroxy-1-methyl-pent-4-enyl]-[(3,4-dimethylphenyl)methyl]ammonium CAS Name: (3,4-dimethylphenyl)methyl-[(2S)-3-hydroxy-3-prop-2-enylhex-5-en-2-yl]ammonium IUPAC Name: (3,4-dimethylphenyl)methyl-[(2S)-3-hydroxy-3-prop-2-enylhex-5-en-2-yl]azanium Traditional Name: [(1S)-2-allyl-2-hydroxy-1-methyl-pent-4-enyl]-(3,4-dimethylbenzyl)ammonium Formula: C18H28NO+ MolecularWeight: 274.42102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C[NH2+]C(C)C(CC=C)(CC=C)O)C

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO/c1-6-10-18(20,11-7-2)16(5)19-13-17-9-8-14(3)15(4)12-17/h6-9,12,16,19-20H,1-2,10-11,13H2,3-5H3/p+1/t16-/m0/s1