butyl-methyl-[3-[2-(4-methyl-2-oxidanylidene-pyrimido[1,2-b]indazol-6-yl)ethanoylamino]propyl]azanium

Systemtic Name: butyl-methyl-[3-[2-(4-methyl-2-oxidanylidene-pyrimido[1,2-b]indazol-6-yl)ethanoylamino]propyl]azanium Openeye Name: butyl-methyl-[3-[[2-(4-methyl-2-oxo-pyrimido[1,2-b]indazol-6-yl)acetyl]amino]propyl]ammonium CAS Name: butyl-methyl-[3-[[2-(4-methyl-2-oxo-6-pyrimido[1,2-b]indazolyl)-1-oxoethyl]amino]propyl]ammonium IUPAC Name: butyl-methyl-[3-[[2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetyl]amino]propyl]azanium Traditional Name: butyl-[3-[[2-(2-keto-4-methyl-pyrimid[1,2-b]indazol-6-yl)acetyl]amino]propyl]-methyl-ammonium Formula: C21H30N5O2+ MolecularWeight: 384.4952

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)CCCNC(=O)CN1C2=CC=CC=C2C3=NC(=O)C=C(N31)C

Isomeric SMILES

CCCC[NH+](C)CCCNC(=O)CN1C2=CC=CC=C2C3=NC(=O)C=C(N31)C

InChI

InChI=1S/C21H29N5O2/c1-4-5-12-24(3)13-8-11-22-20(28)15-25-18-10-7-6-9-17(18)21-23-19(27)14-16(2)26(21)25/h6-7,9-10,14H,4-5,8,11-13,15H2,1-3H3,(H,22,28)/p+1