[(2S)-2-oxidanyl-3-(2,3,6-trimethylphenoxy)propyl]-(3-propan-2-yloxypropyl)azanium

Systemtic Name: [(2S)-2-oxidanyl-3-(2,3,6-trimethylphenoxy)propyl]-(3-propan-2-yloxypropyl)azanium Openeye Name: [(2S)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-(3-isopropoxypropyl)ammonium CAS Name: [(2S)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-(3-propan-2-yloxypropyl)ammonium IUPAC Name: [(2S)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-(3-propan-2-yloxypropyl)azanium Traditional Name: [(2S)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-(3-isopropoxypropyl)ammonium Formula: C18H32NO3+ MolecularWeight: 310.45158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OCC(C[NH2+]CCCOC(C)C)O)C

Isomeric SMILES

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

InChI

InChI=1S/C18H31NO3/c1-13(2)21-10-6-9-19-11-17(20)12-22-18-15(4)8-7-14(3)16(18)5/h7-8,13,17,19-20H,6,9-12H2,1-5H3/p+1/t17-/m0/s1