4-chloranyl-N-[2-methyl-1-(3-morpholin-4-ium-4-ylpropyl)-5-phenyl-pyrrol-3-yl]benzamide

Systemtic Name: 4-chloranyl-N-[2-methyl-1-(3-morpholin-4-ium-4-ylpropyl)-5-phenyl-pyrrol-3-yl]benzamide Openeye Name: 4-chloro-N-[2-methyl-1-(3-morpholin-4-ium-4-ylpropyl)-5-phenyl-pyrrol-3-yl]benzamide CAS Name: 4-chloro-N-[2-methyl-1-[3-(4-morpholin-4-iumyl)propyl]-5-phenyl-3-pyrrolyl]benzamide IUPAC Name: 4-chloro-N-[2-methyl-1-(3-morpholin-4-ium-4-ylpropyl)-5-phenylpyrrol-3-yl]benzamide Traditional Name: 4-chloro-N-[2-methyl-1-(3-morpholin-4-ium-4-ylpropyl)-5-phenyl-pyrrol-3-yl]benzamide Formula: C25H29ClN3O2+ MolecularWeight: 438.96966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CCC[NH+]2CCOCC2)C3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C=C(N1CCC[NH+]2CCOCC2)C3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H28ClN3O2/c1-19-23(27-25(30)21-8-10-22(26)11-9-21)18-24(20-6-3-2-4-7-20)29(19)13-5-12-28-14-16-31-17-15-28/h2-4,6-11,18H,5,12-17H2,1H3,(H,27,30)/p+1