3-[[1-[(2,3-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]carbonylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[1-[(2,3-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]carbonylamino]propyl-dimethyl-azanium Openeye Name: 3-[[1-[(2,3-dimethoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[1-[(2,3-dimethoxyphenyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[1-[(2,3-dimethoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]propyl-dimethylazanium Traditional Name: dimethyl-[3-[(1-o-veratrylpiperidin-1-ium-4-carbonyl)amino]propyl]ammonium Formula: C20H35N3O3+2 MolecularWeight: 365.5102

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)C1CC[NH+](CC1)CC2=C(C(=CC=C2)OC)OC

Isomeric SMILES

C[NH+](C)CCCNC(=O)C1CC[NH+](CC1)CC2=C(C(=CC=C2)OC)OC

InChI

InChI=1S/C20H33N3O3/c1-22(2)12-6-11-21-20(24)16-9-13-23(14-10-16)15-17-7-5-8-18(25-3)19(17)26-4/h5,7-8,16H,6,9-15H2,1-4H3,(H,21,24)/p+2