(2S)-2-[4-(2-cyclopentylethanoyl)piperazin-1-ium-1-yl]-N-(2,5-dimethylphenyl)propanamide

Systemtic Name: (2S)-2-[4-(2-cyclopentylethanoyl)piperazin-1-ium-1-yl]-N-(2,5-dimethylphenyl)propanamide Openeye Name: (2S)-2-[4-(2-cyclopentylacetyl)piperazin-1-ium-1-yl]-N-(2,5-dimethylphenyl)propanamide CAS Name: (2S)-2-[4-(2-cyclopentyl-1-oxoethyl)-1-piperazin-1-iumyl]-N-(2,5-dimethylphenyl)propanamide IUPAC Name: (2S)-2-[4-(2-cyclopentylacetyl)piperazin-1-ium-1-yl]-N-(2,5-dimethylphenyl)propanamide Traditional Name: (2S)-2-[4-(2-cyclopentylacetyl)piperazin-1-ium-1-yl]-N-(2,5-dimethylphenyl)propionamide Formula: C22H34N3O2+ MolecularWeight: 372.52426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C)[NH+]2CCN(CC2)C(=O)CC3CCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@H](C)[NH+]2CCN(CC2)C(=O)CC3CCCC3

InChI

InChI=1S/C22H33N3O2/c1-16-8-9-17(2)20(14-16)23-22(27)18(3)24-10-12-25(13-11-24)21(26)15-19-6-4-5-7-19/h8-9,14,18-19H,4-7,10-13,15H2,1-3H3,(H,23,27)/p+1/t18-/m0/s1