[4-[(2R)-3-(azocan-1-ium-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl-(3-oxidanylpropyl)azanium

Systemtic Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl-(3-oxidanylpropyl)azanium Openeye Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]methyl-(3-hydroxypropyl)ammonium CAS Name: [4-[(2R)-3-(1-azocan-1-iumyl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-(3-hydroxypropyl)ammonium IUPAC Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-(3-hydroxypropyl)azanium Traditional Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-benzyl]-(3-hydroxypropyl)ammonium Formula: C21H38N2O4+2 MolecularWeight: 382.53742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CCCO)OCC(C[NH+]2CCCCCCC2)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CCCO)OC[C@@H](C[NH+]2CCCCCCC2)O

InChI

InChI=1S/C21H36N2O4/c1-26-21-14-18(15-22-10-7-13-24)8-9-20(21)27-17-19(25)16-23-11-5-3-2-4-6-12-23/h8-9,14,19,22,24-25H,2-7,10-13,15-17H2,1H3/p+2/t19-/m1/s1