2-[4-[[(3S)-3-(2,4-dimethoxyphenyl)carbonylpiperidin-1-ium-1-yl]methyl]phenoxy]ethyl-dimethyl-azanium

Systemtic Name: 2-[4-[[(3S)-3-(2,4-dimethoxyphenyl)carbonylpiperidin-1-ium-1-yl]methyl]phenoxy]ethyl-dimethyl-azanium Openeye Name: 2-[4-[[(3S)-3-(2,4-dimethoxybenzoyl)piperidin-1-ium-1-yl]methyl]phenoxy]ethyl-dimethyl-ammonium CAS Name: 2-[4-[[(3S)-3-[(2,4-dimethoxyphenyl)-oxomethyl]-1-piperidin-1-iumyl]methyl]phenoxy]ethyl-dimethylammonium IUPAC Name: 2-[4-[[(3S)-3-(2,4-dimethoxybenzoyl)piperidin-1-ium-1-yl]methyl]phenoxy]ethyl-dimethylazanium Traditional Name: 2-[4-[[(3S)-3-(2,4-dimethoxybenzoyl)piperidin-1-ium-1-yl]methyl]phenoxy]ethyl-dimethyl-ammonium Formula: C25H36N2O4+2 MolecularWeight: 428.56434

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCOC1=CC=C(C=C1)C[NH+]2CCCC(C2)C(=O)C3=C(C=C(C=C3)OC)OC

Isomeric SMILES

C[NH+](C)CCOC1=CC=C(C=C1)C[NH+]2CCC[C@@H](C2)C(=O)C3=C(C=C(C=C3)OC)OC

InChI

InChI=1S/C25H34N2O4/c1-26(2)14-15-31-21-9-7-19(8-10-21)17-27-13-5-6-20(18-27)25(28)23-12-11-22(29-3)16-24(23)30-4/h7-12,16,20H,5-6,13-15,17-18H2,1-4H3/p+2/t20-/m0/s1