N-tert-butyl-2-[4-[1-(4-chlorophenyl)carbonylpiperidin-4-yl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[1-(4-chlorophenyl)carbonylpiperidin-4-yl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[1-(4-chlorobenzoyl)piperidine-4-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[[1-[(4-chlorophenyl)-oxomethyl]-4-piperidinyl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[1-(4-chlorobenzoyl)piperidine-4-carbonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[1-(4-chlorobenzoyl)isonipecotoyl]piperazin-1-ium-1-yl]acetamide Formula: C23H34ClN4O3+ MolecularWeight: 449.99406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H33ClN4O3/c1-23(2,3)25-20(29)16-26-12-14-28(15-13-26)22(31)18-8-10-27(11-9-18)21(30)17-4-6-19(24)7-5-17/h4-7,18H,8-16H2,1-3H3,(H,25,29)/p+1