4-bromanyl-N-[3-oxidanylidene-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]propyl]benzamide

Systemtic Name: 4-bromanyl-N-[3-oxidanylidene-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]propyl]benzamide Openeye Name: 4-bromo-N-[3-oxo-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]propyl]benzamide CAS Name: 4-bromo-N-[3-oxo-3-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methylamino]propyl]benzamide IUPAC Name: 4-bromo-N-[3-oxo-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]propyl]benzamide Traditional Name: 4-bromo-N-[3-keto-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]amino]propyl]benzamide Formula: C22H27BrN3O2+ MolecularWeight: 445.37268

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)CCNC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)CCNC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H26BrN3O2/c23-20-9-7-19(8-10-20)22(28)24-12-11-21(27)25-15-17-3-5-18(6-4-17)16-26-13-1-2-14-26/h3-10H,1-2,11-16H2,(H,24,28)(H,25,27)/p+1