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

Systemtic Name: 3-[2-(4-methyl-2-oxidanylidene-pyrimido[1,2-b]indazol-6-yl)ethanoylamino]propyl-(phenylmethyl)-propan-2-yl-azanium Openeye Name: benzyl-isopropyl-[3-[[2-(4-methyl-2-oxo-pyrimido[1,2-b]indazol-6-yl)acetyl]amino]propyl]ammonium CAS Name: 3-[[2-(4-methyl-2-oxo-6-pyrimido[1,2-b]indazolyl)-1-oxoethyl]amino]propyl-(phenylmethyl)-propan-2-ylammonium IUPAC Name: benzyl-[3-[[2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetyl]amino]propyl]-propan-2-ylazanium Traditional Name: benzyl-isopropyl-[3-[[2-(2-keto-4-methyl-pyrimid[1,2-b]indazol-6-yl)acetyl]amino]propyl]ammonium Formula: C26H32N5O2+ MolecularWeight: 446.56458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C2N1N(C3=CC=CC=C32)CC(=O)NCCC[NH+](CC4=CC=CC=C4)C(C)C

Isomeric SMILES

CC1=CC(=O)N=C2N1N(C3=CC=CC=C32)CC(=O)NCCC[NH+](CC4=CC=CC=C4)C(C)C

InChI

InChI=1S/C26H31N5O2/c1-19(2)29(17-21-10-5-4-6-11-21)15-9-14-27-25(33)18-30-23-13-8-7-12-22(23)26-28-24(32)16-20(3)31(26)30/h4-8,10-13,16,19H,9,14-15,17-18H2,1-3H3,(H,27,33)/p+1