(2,4-dimethoxyphenyl)-[(3S)-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (2,4-dimethoxyphenyl)-[(3S)-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanone Openeye Name: (2,4-dimethoxyphenyl)-[(3S)-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanone CAS Name: (2,4-dimethoxyphenyl)-[(3S)-1-(1-phenethyl-4-piperidin-1-iumyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (2,4-dimethoxyphenyl)-[(3S)-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanone Traditional Name: (2,4-dimethoxyphenyl)-[(3S)-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanone Formula: C27H38N2O3+2 MolecularWeight: 438.60222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)C2CCC[NH+](C2)C3CC[NH+](CC3)CCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)[C@H]2CCC[NH+](C2)C3CC[NH+](CC3)CCC4=CC=CC=C4)OC

InChI

InChI=1S/C27H36N2O3/c1-31-24-10-11-25(26(19-24)32-2)27(30)22-9-6-15-29(20-22)23-13-17-28(18-14-23)16-12-21-7-4-3-5-8-21/h3-5,7-8,10-11,19,22-23H,6,9,12-18,20H2,1-2H3/p+2/t22-/m0/s1