N-tert-butyl-2-[4-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]-1,4-diazepan-1-ium-1-yl]acetamide Formula: C21H36N7O2+ MolecularWeight: 418.55624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)CC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)CC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C21H35N7O2/c1-21(2,3)24-18(29)16-25-8-5-9-26(11-10-25)17-19(30)27-12-14-28(15-13-27)20-22-6-4-7-23-20/h4,6-7H,5,8-17H2,1-3H3,(H,24,29)/p+1