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

Systemtic Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[[(1S)-1-methylpropyl]carbamoyl]-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[[[(2S)-butan-2-yl]amino]-oxomethyl]-2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[[(1S)-1-methylpropyl]carbamoyl]-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide Formula: C18H29N4O2+ MolecularWeight: 333.44846

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)C[NH+]1CCN(CC1)C2=CC=CC=C2C

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)C[NH+]1CCN(CC1)C2=CC=CC=C2C

InChI

InChI=1S/C18H28N4O2/c1-4-15(3)19-18(24)20-17(23)13-21-9-11-22(12-10-21)16-8-6-5-7-14(16)2/h5-8,15H,4,9-13H2,1-3H3,(H2,19,20,23,24)/p+1/t15-/m0/s1