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

Systemtic Name: [3-methoxy-4-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl-[(1-methylpiperidin-1-ium-4-yl)methyl]azanium Openeye Name: [4-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-3-methoxy-phenyl]methyl-[(1-methylpiperidin-1-ium-4-yl)methyl]ammonium CAS Name: [4-[(2R)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-3-methoxyphenyl]methyl-[(1-methyl-4-piperidin-1-iumyl)methyl]ammonium IUPAC Name: [4-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-3-methoxyphenyl]methyl-[(1-methylpiperidin-1-ium-4-yl)methyl]azanium Traditional Name: [4-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-3-methoxy-benzyl]-[(1-methylpiperidin-1-ium-4-yl)methyl]ammonium Formula: C22H40N3O3+3 MolecularWeight: 394.5713

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)C[NH2+]CC2=CC(=C(C=C2)OCC(C[NH+]3CCCC3)O)OC

Isomeric SMILES

C[NH+]1CCC(CC1)C[NH2+]CC2=CC(=C(C=C2)OC[C@@H](C[NH+]3CCCC3)O)OC

InChI

InChI=1S/C22H37N3O3/c1-24-11-7-18(8-12-24)14-23-15-19-5-6-21(22(13-19)27-2)28-17-20(26)16-25-9-3-4-10-25/h5-6,13,18,20,23,26H,3-4,7-12,14-17H2,1-2H3/p+3/t20-/m1/s1