methyl 3-[(3S,4R)-1-(3-phenylpropyl)-4-pyrrolidin-1-ium-1-yl-piperidin-1-ium-3-yl]propanoate

Systemtic Name: methyl 3-[(3S,4R)-1-(3-phenylpropyl)-4-pyrrolidin-1-ium-1-yl-piperidin-1-ium-3-yl]propanoate Openeye Name: methyl 3-[(3S,4R)-1-(3-phenylpropyl)-4-pyrrolidin-1-ium-1-yl-piperidin-1-ium-3-yl]propanoate CAS Name: 3-[(3S,4R)-1-(3-phenylpropyl)-4-(1-pyrrolidin-1-iumyl)-3-piperidin-1-iumyl]propanoic acid methyl ester IUPAC Name: methyl 3-[(3S,4R)-1-(3-phenylpropyl)-4-pyrrolidin-1-ium-1-ylpiperidin-1-ium-3-yl]propanoate Traditional Name: 3-[(3S,4R)-1-(3-phenylpropyl)-4-pyrrolidin-1-ium-1-yl-piperidin-1-ium-3-yl]propionic acid methyl ester Formula: C22H36N2O2+2 MolecularWeight: 360.53344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1C[NH+](CCC1[NH+]2CCCC2)CCCC3=CC=CC=C3

Isomeric SMILES

COC(=O)CC[C@H]1C[NH+](CC[C@H]1[NH+]2CCCC2)CCCC3=CC=CC=C3

InChI

InChI=1S/C22H34N2O2/c1-26-22(25)12-11-20-18-23(14-7-10-19-8-3-2-4-9-19)17-13-21(20)24-15-5-6-16-24/h2-4,8-9,20-21H,5-7,10-18H2,1H3/p+2/t20-,21+/m0/s1