cycloheptyl-[(2S)-3-(4-ethanoyl-2-methoxy-phenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: cycloheptyl-[(2S)-3-(4-ethanoyl-2-methoxy-phenoxy)-2-oxidanyl-propyl]azanium Openeye Name: [(2S)-3-(4-acetyl-2-methoxy-phenoxy)-2-hydroxy-propyl]-cycloheptyl-ammonium CAS Name: [(2S)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]-cycloheptylammonium IUPAC Name: [(2S)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]-cycloheptylazanium Traditional Name: [(2S)-3-(4-acetyl-2-methoxy-phenoxy)-2-hydroxy-propyl]-cycloheptyl-ammonium Formula: C19H30NO4+ MolecularWeight: 336.4458

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OCC(C[NH2+]C2CCCCCC2)O)OC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC[C@H](C[NH2+]C2CCCCCC2)O)OC

InChI

InChI=1S/C19H29NO4/c1-14(21)15-9-10-18(19(11-15)23-2)24-13-17(22)12-20-16-7-5-3-4-6-8-16/h9-11,16-17,20,22H,3-8,12-13H2,1-2H3/p+1/t17-/m0/s1