methyl 3-[(3S,4R)-1-[(4-methoxy-2-oxidanyl-phenyl)methyl]-4-pyrrolidin-1-ium-1-yl-piperidin-1-ium-3-yl]propanoate

Systemtic Name: methyl 3-[(3S,4R)-1-[(4-methoxy-2-oxidanyl-phenyl)methyl]-4-pyrrolidin-1-ium-1-yl-piperidin-1-ium-3-yl]propanoate Openeye Name: methyl 3-[(3S,4R)-1-[(2-hydroxy-4-methoxy-phenyl)methyl]-4-pyrrolidin-1-ium-1-yl-piperidin-1-ium-3-yl]propanoate CAS Name: 3-[(3S,4R)-1-[(2-hydroxy-4-methoxyphenyl)methyl]-4-(1-pyrrolidin-1-iumyl)-3-piperidin-1-iumyl]propanoic acid methyl ester IUPAC Name: methyl 3-[(3S,4R)-1-[(2-hydroxy-4-methoxyphenyl)methyl]-4-pyrrolidin-1-ium-1-ylpiperidin-1-ium-3-yl]propanoate Traditional Name: 3-[(3S,4R)-1-(2-hydroxy-4-methoxy-benzyl)-4-pyrrolidin-1-ium-1-yl-piperidin-1-ium-3-yl]propionic acid methyl ester Formula: C21H34N2O4+2 MolecularWeight: 378.50566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+]2CCC(C(C2)CCC(=O)OC)[NH+]3CCCC3)O

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CC[C@H]([C@H](C2)CCC(=O)OC)[NH+]3CCCC3)O

InChI

InChI=1S/C21H32N2O4/c1-26-18-7-5-17(20(24)13-18)15-22-12-9-19(23-10-3-4-11-23)16(14-22)6-8-21(25)27-2/h5,7,13,16,19,24H,3-4,6,8-12,14-15H2,1-2H3/p+2/t16-,19+/m0/s1