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

Systemtic Name: (2S)-1-[2-methoxy-4-[[4-(methoxymethyl)piperidin-1-ium-1-yl]methyl]phenoxy]-3-pyrrolidin-1-ium-1-yl-propan-2-ol Openeye Name: (2S)-1-[2-methoxy-4-[[4-(methoxymethyl)piperidin-1-ium-1-yl]methyl]phenoxy]-3-pyrrolidin-1-ium-1-yl-propan-2-ol CAS Name: (2S)-1-[2-methoxy-4-[[4-(methoxymethyl)-1-piperidin-1-iumyl]methyl]phenoxy]-3-(1-pyrrolidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-[2-methoxy-4-[[4-(methoxymethyl)piperidin-1-ium-1-yl]methyl]phenoxy]-3-pyrrolidin-1-ium-1-ylpropan-2-ol Traditional Name: (2S)-1-[2-methoxy-4-[[4-(methoxymethyl)piperidin-1-ium-1-yl]methyl]phenoxy]-3-pyrrolidin-1-ium-1-yl-propan-2-ol Formula: C22H38N2O4+2 MolecularWeight: 394.54812

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Descriptors Computed from Structure

Canonical SMILES:

COCC1CC[NH+](CC1)CC2=CC(=C(C=C2)OCC(C[NH+]3CCCC3)O)OC

Isomeric SMILES

COCC1CC[NH+](CC1)CC2=CC(=C(C=C2)OC[C@H](C[NH+]3CCCC3)O)OC

InChI

InChI=1S/C22H36N2O4/c1-26-16-18-7-11-24(12-8-18)14-19-5-6-21(22(13-19)27-2)28-17-20(25)15-23-9-3-4-10-23/h5-6,13,18,20,25H,3-4,7-12,14-17H2,1-2H3/p+2/t20-/m0/s1