2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-tetralin-1-yl-piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-[2-(1-imidazolyl)-4-pyrimidinyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-tetralin-1-yl-piperidin-1-ium-2-yl]acetamide Formula: C24H29N6O+ MolecularWeight: 417.52666

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C(C1)CC(=O)N)(C2CCCC3=CC=CC=C23)C4=NC(=NC=C4)N5C=CN=C5

Isomeric SMILES

C1CC[N+](C(C1)CC(=O)N)(C2CCCC3=CC=CC=C23)C4=NC(=NC=C4)N5C=CN=C5

InChI

InChI=1S/C24H28N6O/c25-22(31)16-19-8-3-4-15-30(19,21-10-5-7-18-6-1-2-9-20(18)21)23-11-12-27-24(28-23)29-14-13-26-17-29/h1-2,6,9,11-14,17,19,21H,3-5,7-8,10,15-16H2,(H-,25,31)/p+1