(2S)-2-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide

Systemtic Name: (2S)-2-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide Openeye Name: (2S)-2-[4-[[5-(2-chlorophenyl)-2-thienyl]methyl]piperazin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide CAS Name: (2S)-2-[4-[[5-(2-chlorophenyl)-2-thiophenyl]methyl]-1-piperazin-1-iumyl]-N-(methylcarbamoyl)propanamide IUPAC Name: (2S)-2-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide Traditional Name: (2S)-2-[4-[[5-(2-chlorophenyl)-2-thienyl]methyl]piperazin-1-ium-1-yl]-N-(methylcarbamoyl)propionamide Formula: C20H26ClN4O2S+ MolecularWeight: 421.96404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC)[NH+]1CCN(CC1)CC2=CC=C(S2)C3=CC=CC=C3Cl

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC)[NH+]1CCN(CC1)CC2=CC=C(S2)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H25ClN4O2S/c1-14(19(26)23-20(27)22-2)25-11-9-24(10-12-25)13-15-7-8-18(28-15)16-5-3-4-6-17(16)21/h3-8,14H,9-13H2,1-2H3,(H2,22,23,26,27)/p+1/t14-/m0/s1