methyl 4-[[(3S)-3-pyrrolidin-1-ylpiperidin-1-ium-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[(3S)-3-pyrrolidin-1-ylpiperidin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 4-[[(3S)-3-pyrrolidin-1-ylpiperidin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[(3S)-3-(1-pyrrolidinyl)-1-piperidin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(3S)-3-pyrrolidin-1-ylpiperidin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[(3S)-3-pyrrolidinopiperidin-1-ium-1-yl]methyl]benzoic acid methyl ester Formula: C18H27N2O2+ MolecularWeight: 303.41918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C[NH+]2CCCC(C2)N3CCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C[NH+]2CCC[C@@H](C2)N3CCCC3

InChI

InChI=1S/C18H26N2O2/c1-22-18(21)16-8-6-15(7-9-16)13-19-10-4-5-17(14-19)20-11-2-3-12-20/h6-9,17H,2-5,10-14H2,1H3/p+1/t17-/m0/s1