N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[[(1S)-1-methylpropyl]carbamoyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[[[(2S)-butan-2-yl]amino]-oxomethyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[[(1S)-1-methylpropyl]carbamoyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C16H27N5O2+2 MolecularWeight: 321.41788

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)C[NH+]1CCN(CC1)C2=CC=CC=[NH+]2

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)C[NH+]1CCN(CC1)C2=CC=CC=[NH+]2

InChI

InChI=1S/C16H25N5O2/c1-3-13(2)18-16(23)19-15(22)12-20-8-10-21(11-9-20)14-6-4-5-7-17-14/h4-7,13H,3,8-12H2,1-2H3,(H2,18,19,22,23)/p+2/t13-/m0/s1