N-(tert-butylcarbamoyl)-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(tert-butylcarbamoyl)-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-(tert-butylcarbamoyl)acetamide CAS Name: N-[(tert-butylamino)-oxomethyl]-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-(tert-butylcarbamoyl)acetamide Traditional Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-(tert-butylcarbamoyl)acetamide Formula: C18H29N4O2+ MolecularWeight: 333.44846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(=O)C[NH+]1CCN(CC1)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)NC(=O)NC(=O)C[NH+]1CCN(CC1)CC2=CC=CC=C2

InChI

InChI=1S/C18H28N4O2/c1-18(2,3)20-17(24)19-16(23)14-22-11-9-21(10-12-22)13-15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3,(H2,19,20,23,24)/p+1