2-[[1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-pyrazol-4-yl]carbonyl-methyl-amino]ethyl-diethyl-azanium

Systemtic Name: 2-[[1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-pyrazol-4-yl]carbonyl-methyl-amino]ethyl-diethyl-azanium Openeye Name: 2-[[1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-pyrazole-4-carbonyl]-methyl-amino]ethyl-diethyl-ammonium CAS Name: 2-[[[1-[4-(1,3-benzodioxol-5-yl)-2-pyrimidinyl]-5-cyclopropyl-4-pyrazolyl]-oxomethyl]-methylamino]ethyl-diethylammonium IUPAC Name: 2-[[1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropylpyrazole-4-carbonyl]-methylamino]ethyl-diethylazanium Traditional Name: 2-[[1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-pyrazole-4-carbonyl]-methyl-amino]ethyl-diethyl-ammonium Formula: C25H31N6O3+ MolecularWeight: 463.55204

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C)C(=O)C1=C(N(N=C1)C2=NC=CC(=N2)C3=CC4=C(C=C3)OCO4)C5CC5

Isomeric SMILES

CC[NH+](CC)CCN(C)C(=O)C1=C(N(N=C1)C2=NC=CC(=N2)C3=CC4=C(C=C3)OCO4)C5CC5

InChI

InChI=1S/C25H30N6O3/c1-4-30(5-2)13-12-29(3)24(32)19-15-27-31(23(19)17-6-7-17)25-26-11-10-20(28-25)18-8-9-21-22(14-18)34-16-33-21/h8-11,14-15,17H,4-7,12-13,16H2,1-3H3/p+1