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

Systemtic Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[[(1S)-1-methylpropyl]carbamoyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[[[(2S)-butan-2-yl]amino]-oxomethyl]-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[[(1S)-1-methylpropyl]carbamoyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C17H27N4O2+ MolecularWeight: 319.42188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4O2/c1-3-14(2)18-17(23)19-16(22)13-20-9-11-21(12-10-20)15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3,(H2,18,19,22,23)/p+1/t14-/m0/s1