[4-[3-(2,2-dimethylpropylamino)propoxy]phenyl]-(2-propylindolizin-4-ium-4-yl)methanone

Systemtic Name: [4-[3-(2,2-dimethylpropylamino)propoxy]phenyl]-(2-propylindolizin-4-ium-4-yl)methanone Openeye Name: [4-[3-(2,2-dimethylpropylamino)propoxy]phenyl]-(2-propylindolizin-4-ium-4-yl)methanone CAS Name: [4-[3-(2,2-dimethylpropylamino)propoxy]phenyl]-(2-propyl-4-indolizin-4-iumyl)methanone IUPAC Name: [4-[3-(2,2-dimethylpropylamino)propoxy]phenyl]-(2-propylindolizin-4-ium-4-yl)methanone Traditional Name: [4-[3-(neopentylamino)propoxy]phenyl]-(2-propylindolizin-4-ium-4-yl)methanone Formula: C26H35N2O2+ MolecularWeight: 407.5683

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C[N+]2(C=CC=CC2=C1)C(=O)C3=CC=C(C=C3)OCCCNCC(C)(C)C

Isomeric SMILES

CCCC1=C[N+]2(C=CC=CC2=C1)C(=O)C3=CC=C(C=C3)OCCCNCC(C)(C)C

InChI

InChI=1S/C26H35N2O2/c1-5-9-21-18-23-10-6-7-16-28(23,19-21)25(29)22-11-13-24(14-12-22)30-17-8-15-27-20-26(2,3)4/h6-7,10-14,16,18-19,27H,5,8-9,15,17,20H2,1-4H3/q+1