dimethyl-[2-[[2-methyl-5-(5-methylfuran-2-yl)pyrazol-3-yl]carbonyl-(phenylmethyl)amino]ethyl]azanium

Systemtic Name: dimethyl-[2-[[2-methyl-5-(5-methylfuran-2-yl)pyrazol-3-yl]carbonyl-(phenylmethyl)amino]ethyl]azanium Openeye Name: 2-[benzyl-[2-methyl-5-(5-methyl-2-furyl)pyrazole-3-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: dimethyl-[2-[[[2-methyl-5-(5-methyl-2-furanyl)-3-pyrazolyl]-oxomethyl]-(phenylmethyl)amino]ethyl]ammonium IUPAC Name: 2-[benzyl-[2-methyl-5-(5-methylfuran-2-yl)pyrazole-3-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[benzyl-[2-methyl-5-(5-methyl-2-furyl)pyrazole-3-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C21H27N4O2+ MolecularWeight: 367.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NN(C(=C2)C(=O)N(CC[NH+](C)C)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=C(O1)C2=NN(C(=C2)C(=O)N(CC[NH+](C)C)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H26N4O2/c1-16-10-11-20(27-16)18-14-19(24(4)22-18)21(26)25(13-12-23(2)3)15-17-8-6-5-7-9-17/h5-11,14H,12-13,15H2,1-4H3/p+1