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

Systemtic Name: 3-[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]ethanoylamino]-N-ethyl-benzamide Openeye Name: 3-[[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetyl]amino]-N-ethyl-benzamide CAS Name: 3-[[2-[(2S)-2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]-1-oxoethyl]amino]-N-ethylbenzamide IUPAC Name: 3-[[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetyl]amino]-N-ethylbenzamide Traditional Name: 3-[[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetyl]amino]-N-ethyl-benzamide Formula: C23H30N3O4+ MolecularWeight: 412.502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O4/c1-4-24-23(28)16-7-5-8-17(13-16)25-22(27)15-26-12-6-9-20(26)19-14-18(29-2)10-11-21(19)30-3/h5,7-8,10-11,13-14,20H,4,6,9,12,15H2,1-3H3,(H,24,28)(H,25,27)/p+1/t20-/m0/s1