(2S)-2-[4-(2-cyclopentylethanoyl)piperazin-1-ium-1-yl]-N-(2-methoxyphenyl)propanamide

Systemtic Name: (2S)-2-[4-(2-cyclopentylethanoyl)piperazin-1-ium-1-yl]-N-(2-methoxyphenyl)propanamide Openeye Name: (2S)-2-[4-(2-cyclopentylacetyl)piperazin-1-ium-1-yl]-N-(2-methoxyphenyl)propanamide CAS Name: (2S)-2-[4-(2-cyclopentyl-1-oxoethyl)-1-piperazin-1-iumyl]-N-(2-methoxyphenyl)propanamide IUPAC Name: (2S)-2-[4-(2-cyclopentylacetyl)piperazin-1-ium-1-yl]-N-(2-methoxyphenyl)propanamide Traditional Name: (2S)-2-[4-(2-cyclopentylacetyl)piperazin-1-ium-1-yl]-N-(2-methoxyphenyl)propionamide Formula: C21H32N3O3+ MolecularWeight: 374.49708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1OC)[NH+]2CCN(CC2)C(=O)CC3CCCC3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1OC)[NH+]2CCN(CC2)C(=O)CC3CCCC3

InChI

InChI=1S/C21H31N3O3/c1-16(21(26)22-18-9-5-6-10-19(18)27-2)23-11-13-24(14-12-23)20(25)15-17-7-3-4-8-17/h5-6,9-10,16-17H,3-4,7-8,11-15H2,1-2H3,(H,22,26)/p+1/t16-/m0/s1