(2S)-N-ethyl-2-[2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanoylamino]propanamide

Systemtic Name: (2S)-N-ethyl-2-[2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanoylamino]propanamide Openeye Name: (2S)-N-ethyl-2-[[2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetyl]amino]propanamide CAS Name: (2S)-N-ethyl-2-[[2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]propanamide IUPAC Name: (2S)-N-ethyl-2-[[2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetyl]amino]propanamide Traditional Name: (2S)-N-ethyl-2-[[2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetyl]amino]propionamide Formula: C18H29N4O2+ MolecularWeight: 333.44846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O2/c1-4-19-18(24)15(3)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,(H,19,24)(H,20,23)/p+1/t15-/m0/s1