(1-bromanyl-2-butyl-indolizin-4-ium-4-yl)-[4-[3-(2,2-dimethylpropylamino)propoxy]phenyl]methanone

Systemtic Name: (1-bromanyl-2-butyl-indolizin-4-ium-4-yl)-[4-[3-(2,2-dimethylpropylamino)propoxy]phenyl]methanone Openeye Name: (1-bromo-2-butyl-indolizin-4-ium-4-yl)-[4-[3-(2,2-dimethylpropylamino)propoxy]phenyl]methanone CAS Name: (1-bromo-2-butyl-4-indolizin-4-iumyl)-[4-[3-(2,2-dimethylpropylamino)propoxy]phenyl]methanone IUPAC Name: (1-bromo-2-butylindolizin-4-ium-4-yl)-[4-[3-(2,2-dimethylpropylamino)propoxy]phenyl]methanone Traditional Name: (1-bromo-2-butyl-indolizin-4-ium-4-yl)-[4-[3-(neopentylamino)propoxy]phenyl]methanone Formula: C27H36BrN2O2+ MolecularWeight: 500.49094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C[N+]2(C=CC=CC2=C1Br)C(=O)C3=CC=C(C=C3)OCCCNCC(C)(C)C

Isomeric SMILES

CCCCC1=C[N+]2(C=CC=CC2=C1Br)C(=O)C3=CC=C(C=C3)OCCCNCC(C)(C)C

InChI

InChI=1S/C27H36BrN2O2/c1-5-6-10-22-19-30(17-8-7-11-24(30)25(22)28)26(31)21-12-14-23(15-13-21)32-18-9-16-29-20-27(2,3)4/h7-8,11-15,17,19,29H,5-6,9-10,16,18,20H2,1-4H3/q+1