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

Systemtic Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-(3-phenylpropyl)piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-(3-phenylpropyl)piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-[2-(1-imidazolyl)-4-pyrimidinyl]-1-(3-phenylpropyl)-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-(3-phenylpropyl)piperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-(3-phenylpropyl)piperidin-1-ium-2-yl]acetamide Formula: C23H29N6O+ MolecularWeight: 405.51596

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C(C1)CC(=O)N)(CCCC2=CC=CC=C2)C3=NC(=NC=C3)N4C=CN=C4

Isomeric SMILES

C1CC[N+](C(C1)CC(=O)N)(CCCC2=CC=CC=C2)C3=NC(=NC=C3)N4C=CN=C4

InChI

InChI=1S/C23H28N6O/c24-21(30)17-20-10-4-5-15-29(20,16-6-9-19-7-2-1-3-8-19)22-11-12-26-23(27-22)28-14-13-25-18-28/h1-3,7-8,11-14,18,20H,4-6,9-10,15-17H2,(H-,24,30)/p+1