3-[2-[4-(4-ethylphenyl)carbonylpiperazin-1-ium-1-yl]ethanoyl-(phenylmethyl)amino]propanamide

Systemtic Name: 3-[2-[4-(4-ethylphenyl)carbonylpiperazin-1-ium-1-yl]ethanoyl-(phenylmethyl)amino]propanamide Openeye Name: 3-[benzyl-[2-[4-(4-ethylbenzoyl)piperazin-1-ium-1-yl]acetyl]amino]propanamide CAS Name: 3-[[2-[4-[(4-ethylphenyl)-oxomethyl]-1-piperazin-1-iumyl]-1-oxoethyl]-(phenylmethyl)amino]propanamide IUPAC Name: 3-[benzyl-[2-[4-(4-ethylbenzoyl)piperazin-1-ium-1-yl]acetyl]amino]propanamide Traditional Name: 3-[benzyl-[2-[4-(4-ethylbenzoyl)piperazin-1-ium-1-yl]acetyl]amino]propionamide Formula: C25H33N4O3+ MolecularWeight: 437.55452

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)N(CCC(=O)N)CC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)N(CCC(=O)N)CC3=CC=CC=C3

InChI

InChI=1S/C25H32N4O3/c1-2-20-8-10-22(11-9-20)25(32)28-16-14-27(15-17-28)19-24(31)29(13-12-23(26)30)18-21-6-4-3-5-7-21/h3-11H,2,12-19H2,1H3,(H2,26,30)/p+1