2-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl-thiophen-2-ylcarbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl-thiophen-2-ylcarbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl-(thiophene-2-carbonyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3R)-1-[(2-methoxyphenyl)methyl]-3-piperidin-1-iumyl]methyl-[oxo(thiophen-2-yl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl-(thiophene-2-carbonyl)amino]ethyl-dimethylazanium Traditional Name: dimethyl-[2-[[(3R)-1-o-anisylpiperidin-1-ium-3-yl]methyl-(2-thenoyl)amino]ethyl]ammonium Formula: C23H35N3O2S+2 MolecularWeight: 417.6079

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(CC1CCC[NH+](C1)CC2=CC=CC=C2OC)C(=O)C3=CC=CS3

Isomeric SMILES

C[NH+](C)CCN(C[C@H]1CCC[NH+](C1)CC2=CC=CC=C2OC)C(=O)C3=CC=CS3

InChI

InChI=1S/C23H33N3O2S/c1-24(2)13-14-26(23(27)22-11-7-15-29-22)17-19-8-6-12-25(16-19)18-20-9-4-5-10-21(20)28-3/h4-5,7,9-11,15,19H,6,8,12-14,16-18H2,1-3H3/p+2/t19-/m0/s1