N-(2,4-dimethoxyphenyl)-3-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-1-ium-4-yl]propanamide

Systemtic Name: N-(2,4-dimethoxyphenyl)-3-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-1-ium-4-yl]propanamide Openeye Name: N-(2,4-dimethoxyphenyl)-3-[1-[[(3R)-tetrahydrofuran-3-yl]methyl]piperidin-1-ium-4-yl]propanamide CAS Name: N-(2,4-dimethoxyphenyl)-3-[1-[[(3R)-3-oxolanyl]methyl]-4-piperidin-1-iumyl]propanamide IUPAC Name: N-(2,4-dimethoxyphenyl)-3-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-1-ium-4-yl]propanamide Traditional Name: N-(2,4-dimethoxyphenyl)-3-[1-[[(3R)-tetrahydrofuran-3-yl]methyl]piperidin-1-ium-4-yl]propionamide Formula: C21H33N2O4+ MolecularWeight: 377.49772

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CCC2CC[NH+](CC2)CC3CCOC3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CCC2CC[NH+](CC2)C[C@H]3CCOC3)OC

InChI

InChI=1S/C21H32N2O4/c1-25-18-4-5-19(20(13-18)26-2)22-21(24)6-3-16-7-10-23(11-8-16)14-17-9-12-27-15-17/h4-5,13,16-17H,3,6-12,14-15H2,1-2H3,(H,22,24)/p+1/t17-/m1/s1