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

Systemtic Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl-(4-oxidanylcyclohexyl)azanium Openeye Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]methyl-(4-hydroxycyclohexyl)ammonium CAS Name: [4-[(2R)-3-(1-azocan-1-iumyl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-(4-hydroxycyclohexyl)ammonium IUPAC Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-(4-hydroxycyclohexyl)azanium Traditional Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-benzyl]-(4-hydroxycyclohexyl)ammonium Formula: C24H42N2O4+2 MolecularWeight: 422.60128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]C2CCC(CC2)O)OCC(C[NH+]3CCCCCCC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]C2CCC(CC2)O)OC[C@@H](C[NH+]3CCCCCCC3)O

InChI

InChI=1S/C24H40N2O4/c1-29-24-15-19(16-25-20-8-10-21(27)11-9-20)7-12-23(24)30-18-22(28)17-26-13-5-3-2-4-6-14-26/h7,12,15,20-22,25,27-28H,2-6,8-11,13-14,16-18H2,1H3/p+2/t20?,21?,22-/m1/s1