2-(cyclohexen-1-yl)ethyl-[(2S)-3-(4-ethanoyl-2-methoxy-phenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: 2-(cyclohexen-1-yl)ethyl-[(2S)-3-(4-ethanoyl-2-methoxy-phenoxy)-2-oxidanyl-propyl]azanium Openeye Name: [(2S)-3-(4-acetyl-2-methoxy-phenoxy)-2-hydroxy-propyl]-[2-(cyclohexen-1-yl)ethyl]ammonium CAS Name: [(2S)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]-[2-(1-cyclohexenyl)ethyl]ammonium IUPAC Name: [(2S)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]-[2-(cyclohexen-1-yl)ethyl]azanium Traditional Name: [(2S)-3-(4-acetyl-2-methoxy-phenoxy)-2-hydroxy-propyl]-[2-(cyclohexen-1-yl)ethyl]ammonium Formula: C20H30NO4+ MolecularWeight: 348.4565

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OCC(C[NH2+]CCC2=CCCCC2)O)OC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC[C@H](C[NH2+]CCC2=CCCCC2)O)OC

InChI

InChI=1S/C20H29NO4/c1-15(22)17-8-9-19(20(12-17)24-2)25-14-18(23)13-21-11-10-16-6-4-3-5-7-16/h6,8-9,12,18,21,23H,3-5,7,10-11,13-14H2,1-2H3/p+1/t18-/m0/s1