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

Systemtic Name: 2-(cyclohexen-1-yl)ethyl-[(2S)-3-[(3,4-dimethoxyphenyl)methoxy]-2-oxidanyl-propyl]azanium Openeye Name: 2-(cyclohexen-1-yl)ethyl-[(2S)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxy-propyl]ammonium CAS Name: 2-(1-cyclohexenyl)ethyl-[(2S)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]ammonium IUPAC Name: 2-(cyclohexen-1-yl)ethyl-[(2S)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]azanium Traditional Name: 2-(cyclohexen-1-yl)ethyl-[(2S)-2-hydroxy-3-veratryloxy-propyl]ammonium Formula: C20H32NO4+ MolecularWeight: 350.47238

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COCC(C[NH2+]CCC2=CCCCC2)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)COC[C@H](C[NH2+]CCC2=CCCCC2)O)OC

InChI

InChI=1S/C20H31NO4/c1-23-19-9-8-17(12-20(19)24-2)14-25-15-18(22)13-21-11-10-16-6-4-3-5-7-16/h6,8-9,12,18,21-22H,3-5,7,10-11,13-15H2,1-2H3/p+1/t18-/m0/s1