(3,4-dimethoxyphenyl)-[(3S)-1-[(3-ethoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: (3,4-dimethoxyphenyl)-[(3S)-1-[(3-ethoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (3,4-dimethoxyphenyl)-[(3S)-1-[(3-ethoxy-2-hydroxy-phenyl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: (3,4-dimethoxyphenyl)-[(3S)-1-[(3-ethoxy-2-hydroxyphenyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (3,4-dimethoxyphenyl)-[(3S)-1-[(3-ethoxy-2-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: (3,4-dimethoxyphenyl)-[(3S)-1-(3-ethoxy-2-hydroxy-benzyl)piperidin-1-ium-3-yl]methanone Formula: C23H30NO5+ MolecularWeight: 400.488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1O)C[NH+]2CCCC(C2)C(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCOC1=CC=CC(=C1O)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H29NO5/c1-4-29-20-9-5-7-18(23(20)26)15-24-12-6-8-17(14-24)22(25)16-10-11-19(27-2)21(13-16)28-3/h5,7,9-11,13,17,26H,4,6,8,12,14-15H2,1-3H3/p+1/t17-/m0/s1