2-(cyclohexen-1-yl)ethyl-[[4-methoxy-2-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium

Systemtic Name: 2-(cyclohexen-1-yl)ethyl-[[4-methoxy-2-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium Openeye Name: 2-(cyclohexen-1-yl)ethyl-[[2-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl]ammonium CAS Name: 2-(1-cyclohexenyl)ethyl-[[2-[(2R)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl]ammonium IUPAC Name: 2-(cyclohexen-1-yl)ethyl-[[2-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl]azanium Traditional Name: 2-(cyclohexen-1-yl)ethyl-[2-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]ammonium Formula: C23H38N2O3+2 MolecularWeight: 390.55942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH2+]CCC2=CCCCC2)OCC(C[NH+]3CCCC3)O

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH2+]CCC2=CCCCC2)OC[C@@H](C[NH+]3CCCC3)O

InChI

InChI=1S/C23H36N2O3/c1-27-22-10-9-20(16-24-12-11-19-7-3-2-4-8-19)23(15-22)28-18-21(26)17-25-13-5-6-14-25/h7,9-10,15,21,24,26H,2-6,8,11-14,16-18H2,1H3/p+2/t21-/m1/s1