4-(2,5-dimethylpyrrol-1-yl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 4-(2,5-dimethylpyrrol-1-yl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4-(2,5-dimethylpyrrol-1-yl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)-N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 4-(2,5-dimethylpyrrol-1-yl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)-N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]benzamide Formula: C25H30N3O2+ MolecularWeight: 404.5246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3C[NH+]4CCOCC4)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3C[NH+]4CCOCC4)C

InChI

InChI=1S/C25H29N3O2/c1-19-7-8-20(2)28(19)24-11-9-21(10-12-24)25(29)26-17-22-5-3-4-6-23(22)18-27-13-15-30-16-14-27/h3-12H,13-18H2,1-2H3,(H,26,29)/p+1