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

Systemtic Name: 2-[[1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-pyrazol-4-yl]carbonyl-ethyl-amino]ethyl-diethyl-azanium Openeye Name: 2-[[1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-pyrazole-4-carbonyl]-ethyl-amino]ethyl-diethyl-ammonium CAS Name: 2-[[[1-[4-(1,3-benzodioxol-5-yl)-2-pyrimidinyl]-5-cyclopropyl-4-pyrazolyl]-oxomethyl]-ethylamino]ethyl-diethylammonium IUPAC Name: 2-[[1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropylpyrazole-4-carbonyl]-ethylamino]ethyl-diethylazanium Traditional Name: 2-[[1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-pyrazole-4-carbonyl]-ethyl-amino]ethyl-diethyl-ammonium Formula: C26H33N6O3+ MolecularWeight: 477.57862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N6O3/c1-4-30(5-2)13-14-31(6-3)25(33)20-16-28-32(24(20)18-7-8-18)26-27-12-11-21(29-26)19-9-10-22-23(15-19)35-17-34-22/h9-12,15-16,18H,4-8,13-14,17H2,1-3H3/p+1