3-[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]ethanoylamino]-N,N-diethyl-benzamide

Systemtic Name: 3-[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]ethanoylamino]-N,N-diethyl-benzamide Openeye Name: 3-[[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetyl]amino]-N,N-diethyl-benzamide CAS Name: 3-[[2-[(2S)-2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]-1-oxoethyl]amino]-N,N-diethylbenzamide IUPAC Name: 3-[[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetyl]amino]-N,N-diethylbenzamide Traditional Name: 3-[[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetyl]amino]-N,N-diethyl-benzamide Formula: C25H34N3O4+ MolecularWeight: 440.55516

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CCCC2C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O4/c1-5-27(6-2)25(30)18-9-7-10-19(15-18)26-24(29)17-28-14-8-11-22(28)21-16-20(31-3)12-13-23(21)32-4/h7,9-10,12-13,15-16,22H,5-6,8,11,14,17H2,1-4H3,(H,26,29)/p+1/t22-/m0/s1