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

Systemtic Name: 2-[[1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]carbonylamino]ethyl-diethyl-azanium Openeye Name: 2-[[1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[[1-[(3,4-dimethoxyphenyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]ethyl-diethylazanium Traditional Name: diethyl-[2-[(1-veratrylpiperidin-1-ium-4-carbonyl)amino]ethyl]ammonium Formula: C21H37N3O3+2 MolecularWeight: 379.53678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35N3O3/c1-5-23(6-2)14-11-22-21(25)18-9-12-24(13-10-18)16-17-7-8-19(26-3)20(15-17)27-4/h7-8,15,18H,5-6,9-14,16H2,1-4H3,(H,22,25)/p+2