(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (5-isopropyl-3-methyl-isoxazol-4-yl)-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (3-methyl-5-propan-2-yl-4-isoxazolyl)-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (5-isopropyl-3-methyl-isoxazol-4-yl)-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone Formula: C18H25N4O2+ MolecularWeight: 329.4167

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1C(=O)N2CC[NH+](CC2)CC3=CC=NC=C3)C(C)C

Isomeric SMILES

CC1=NOC(=C1C(=O)N2CC[NH+](CC2)CC3=CC=NC=C3)C(C)C

InChI

InChI=1S/C18H24N4O2/c1-13(2)17-16(14(3)20-24-17)18(23)22-10-8-21(9-11-22)12-15-4-6-19-7-5-15/h4-7,13H,8-12H2,1-3H3/p+1