(2R)-1-[2-methoxy-5-[(4-pyrrolidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]phenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol

Systemtic Name: (2R)-1-[2-methoxy-5-[(4-pyrrolidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]phenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol Openeye Name: (2R)-1-[2-methoxy-5-[(4-pyrrolidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]phenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol CAS Name: (2R)-1-[2-methoxy-5-[[4-(1-pyrrolidin-1-iumyl)-1-piperidin-1-iumyl]methyl]phenoxy]-3-(1-piperidin-1-iumyl)-2-propanol IUPAC Name: (2R)-1-[2-methoxy-5-[(4-pyrrolidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]phenoxy]-3-piperidin-1-ium-1-ylpropan-2-ol Traditional Name: (2R)-1-[2-methoxy-5-[(4-pyrrolidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]phenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol Formula: C25H44N3O3+3 MolecularWeight: 434.63516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCC(CC2)[NH+]3CCCC3)OCC(C[NH+]4CCCCC4)O

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCC(CC2)[NH+]3CCCC3)OC[C@@H](C[NH+]4CCCCC4)O

InChI

InChI=1S/C25H41N3O3/c1-30-24-8-7-21(18-27-15-9-22(10-16-27)28-13-5-6-14-28)17-25(24)31-20-23(29)19-26-11-3-2-4-12-26/h7-8,17,22-23,29H,2-6,9-16,18-20H2,1H3/p+3/t23-/m1/s1