N-[2,5-diethoxy-4-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanoylamino]phenyl]benzamide

Systemtic Name: N-[2,5-diethoxy-4-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanoylamino]phenyl]benzamide Openeye Name: N-[2,5-diethoxy-4-[[2-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetyl]amino]phenyl]benzamide CAS Name: N-[2,5-diethoxy-4-[[1-oxo-2-[(2S)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]ethyl]amino]phenyl]benzamide IUPAC Name: N-[2,5-diethoxy-4-[[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetyl]amino]phenyl]benzamide Traditional Name: N-[2,5-diethoxy-4-[[2-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetyl]amino]phenyl]benzamide Formula: C27H32N3O4S+ MolecularWeight: 494.62568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OCC)NC(=O)C[NH+]3CCCC3C4=CC=CS4

Isomeric SMILES

CCOC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OCC)NC(=O)C[NH+]3CCC[C@H]3C4=CC=CS4

InChI

InChI=1S/C27H31N3O4S/c1-3-33-23-17-21(29-27(32)19-10-6-5-7-11-19)24(34-4-2)16-20(23)28-26(31)18-30-14-8-12-22(30)25-13-9-15-35-25/h5-7,9-11,13,15-17,22H,3-4,8,12,14,18H2,1-2H3,(H,28,31)(H,29,32)/p+1/t22-/m0/s1