4-(2,5-dimethylpyrrol-1-yl)-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]benzamide

Systemtic Name: 4-(2,5-dimethylpyrrol-1-yl)-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]benzamide Openeye Name: 4-(2,5-dimethylpyrrol-1-yl)-N-[(2R)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]benzamide CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)-N-[(2R)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]benzamide IUPAC Name: 4-(2,5-dimethylpyrrol-1-yl)-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]benzamide Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)-N-[(2R)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]benzamide Formula: C23H28N3O2S+ MolecularWeight: 410.55232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)NCC(C3=CC=CS3)[NH+]4CCOCC4)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)NC[C@H](C3=CC=CS3)[NH+]4CCOCC4)C

InChI

InChI=1S/C23H27N3O2S/c1-17-5-6-18(2)26(17)20-9-7-19(8-10-20)23(27)24-16-21(22-4-3-15-29-22)25-11-13-28-14-12-25/h3-10,15,21H,11-14,16H2,1-2H3,(H,24,27)/p+1/t21-/m1/s1