3-cyclopentylpropyl-[[3-methoxy-2-[(2R)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]phenyl]methyl]azanium

Systemtic Name: 3-cyclopentylpropyl-[[3-methoxy-2-[(2R)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]phenyl]methyl]azanium Openeye Name: 3-cyclopentylpropyl-[[2-[(2R)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: 3-cyclopentylpropyl-[[2-[(2R)-2-hydroxy-3-(4-morpholin-4-iumyl)propoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: 3-cyclopentylpropyl-[[2-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: 3-cyclopentylpropyl-[2-[(2R)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]-3-methoxy-benzyl]ammonium Formula: C23H40N2O4+2 MolecularWeight: 408.5747

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC(C[NH+]2CCOCC2)O)C[NH2+]CCCC3CCCC3

Isomeric SMILES

COC1=CC=CC(=C1OC[C@@H](C[NH+]2CCOCC2)O)C[NH2+]CCCC3CCCC3

InChI

InChI=1S/C23H38N2O4/c1-27-22-10-4-9-20(16-24-11-5-8-19-6-2-3-7-19)23(22)29-18-21(26)17-25-12-14-28-15-13-25/h4,9-10,19,21,24,26H,2-3,5-8,11-18H2,1H3/p+2/t21-/m1/s1