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

Systemtic Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(1-oxidanidylpyridin-1-ium-4-yl)carbonylpiperidin-3-yl]propanamide Openeye Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(1-oxidopyridin-1-ium-4-carbonyl)-3-piperidyl]propanamide CAS Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-[(1-oxido-4-pyridin-1-iumyl)-oxomethyl]-3-piperidinyl]propanamide IUPAC Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(1-oxidopyridin-1-ium-4-carbonyl)piperidin-3-yl]propanamide Traditional Name: N-(2,4-dimethoxybenzyl)-3-[(3R)-1-(1-oxidopyridin-1-ium-4-carbonyl)-3-piperidyl]propionamide Formula: C23H29N3O5 MolecularWeight: 427.49346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CNC(=O)CCC2CCCN(C2)C(=O)C3=CC=[N+](C=C3)[O-])OC

Isomeric SMILES

COC1=CC(=C(C=C1)CNC(=O)CC[C@H]2CCCN(C2)C(=O)C3=CC=[N+](C=C3)[O-])OC

InChI

InChI=1S/C23H29N3O5/c1-30-20-7-6-19(21(14-20)31-2)15-24-22(27)8-5-17-4-3-11-25(16-17)23(28)18-9-12-26(29)13-10-18/h6-7,9-10,12-14,17H,3-5,8,11,15-16H2,1-2H3,(H,24,27)/t17-/m1/s1