2-[(2S)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-N-(pyridin-2-ylmethyl)ethanamide

Systemtic Name: 2-[(2S)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-N-(pyridin-2-ylmethyl)ethanamide Openeye Name: 2-[(2S)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-methyl-N-(2-pyridylmethyl)acetamide CAS Name: 2-[(2S)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-methyl-N-(2-pyridinylmethyl)acetamide IUPAC Name: 2-[(2S)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-methyl-N-(pyridin-2-ylmethyl)acetamide Traditional Name: 2-[(2S)-3-keto-1-veratryl-piperazin-1-ium-2-yl]-N-methyl-N-(2-pyridylmethyl)acetamide Formula: C22H29N4O4+ MolecularWeight: 413.49006

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=N1)C(=O)CC2C(=O)NCC[NH+]2CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN(CC1=CC=CC=N1)C(=O)C[C@H]2C(=O)NCC[NH+]2CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H28N4O4/c1-25(15-17-6-4-5-9-23-17)21(27)13-18-22(28)24-10-11-26(18)14-16-7-8-19(29-2)20(12-16)30-3/h4-9,12,18H,10-11,13-15H2,1-3H3,(H,24,28)/p+1/t18-/m0/s1