(2S)-N-(4-ethylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(4-ethylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(4-ethylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(4-ethylphenyl)-2-[4-(2-methyl-1-oxopropyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(4-ethylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(4-ethylphenyl)-2-(4-isobutyrylpiperazin-1-ium-1-yl)propionamide Formula: C19H30N3O2+ MolecularWeight: 332.4604

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)[NH+]2CCN(CC2)C(=O)C(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)[NH+]2CCN(CC2)C(=O)C(C)C

InChI

InChI=1S/C19H29N3O2/c1-5-16-6-8-17(9-7-16)20-18(23)15(4)21-10-12-22(13-11-21)19(24)14(2)3/h6-9,14-15H,5,10-13H2,1-4H3,(H,20,23)/p+1/t15-/m0/s1