(2S)-2-[2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]ethanoylamino]-N-propyl-propanamide

Systemtic Name: (2S)-2-[2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]ethanoylamino]-N-propyl-propanamide Openeye Name: (2S)-2-[[2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]acetyl]amino]-N-propyl-propanamide CAS Name: (2S)-2-[[2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-N-propylpropanamide IUPAC Name: (2S)-2-[[2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]acetyl]amino]-N-propylpropanamide Traditional Name: (2S)-2-[[2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]acetyl]amino]-N-propyl-propionamide Formula: C20H31N4O3+ MolecularWeight: 375.48514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O3/c1-4-9-21-20(27)15(2)22-19(26)14-23-10-12-24(13-11-23)18-7-5-17(6-8-18)16(3)25/h5-8,15H,4,9-14H2,1-3H3,(H,21,27)(H,22,26)/p+1/t15-/m0/s1