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

Systemtic Name: (2R)-1-[2-methoxy-5-[[4-(methoxymethyl)piperidin-1-ium-1-yl]methyl]phenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol Openeye Name: (2R)-1-[2-methoxy-5-[[4-(methoxymethyl)piperidin-1-ium-1-yl]methyl]phenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol CAS Name: (2R)-1-[2-methoxy-5-[[4-(methoxymethyl)-1-piperidin-1-iumyl]methyl]phenoxy]-3-(1-piperidin-1-iumyl)-2-propanol IUPAC Name: (2R)-1-[2-methoxy-5-[[4-(methoxymethyl)piperidin-1-ium-1-yl]methyl]phenoxy]-3-piperidin-1-ium-1-ylpropan-2-ol Traditional Name: (2R)-1-[2-methoxy-5-[[4-(methoxymethyl)piperidin-1-ium-1-yl]methyl]phenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol Formula: C23H40N2O4+2 MolecularWeight: 408.5747

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Descriptors Computed from Structure

Canonical SMILES:

COCC1CC[NH+](CC1)CC2=CC(=C(C=C2)OC)OCC(C[NH+]3CCCCC3)O

Isomeric SMILES

COCC1CC[NH+](CC1)CC2=CC(=C(C=C2)OC)OC[C@@H](C[NH+]3CCCCC3)O

InChI

InChI=1S/C23H38N2O4/c1-27-17-19-8-12-25(13-9-19)15-20-6-7-22(28-2)23(14-20)29-18-21(26)16-24-10-4-3-5-11-24/h6-7,14,19,21,26H,3-5,8-13,15-18H2,1-2H3/p+2/t21-/m1/s1