3-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoylamino]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoylamino]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoylamino]propyl]-methyl-ammonium CAS Name: 3-[[3-(2,4-dimethyl-3-pyrimido[1,2-b]indazolyl)-1-oxopropyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoylamino]propyl]-methylazanium Traditional Name: benzyl-[3-[3-(2,4-dimethylpyrimid[1,2-b]indazol-3-yl)propanoylamino]propyl]-methyl-ammonium Formula: C26H32N5O+ MolecularWeight: 430.56518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=C3C=CC=CC3=NN12)C)CCC(=O)NCCC[NH+](C)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NC2=C3C=CC=CC3=NN12)C)CCC(=O)NCCC[NH+](C)CC4=CC=CC=C4

InChI

InChI=1S/C26H31N5O/c1-19-22(20(2)31-26(28-19)23-12-7-8-13-24(23)29-31)14-15-25(32)27-16-9-17-30(3)18-21-10-5-4-6-11-21/h4-8,10-13H,9,14-18H2,1-3H3,(H,27,32)/p+1