N-[(2S)-1-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-2-phenyl-ethanamide

Systemtic Name: N-[(2S)-1-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-2-phenyl-ethanamide Openeye Name: N-[(1S)-1-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]-2-methyl-propyl]-2-phenyl-acetamide CAS Name: N-[(2S)-1-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide IUPAC Name: N-[(2S)-1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide Traditional Name: N-[(1S)-1-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]-2-methyl-propyl]-2-phenyl-acetamide Formula: C22H29ClN3O2S+ MolecularWeight: 435.00256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CC[NH+](CC1)CC2=CC=C(S2)Cl)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CC[NH+](CC1)CC2=CC=C(S2)Cl)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H28ClN3O2S/c1-16(2)21(24-20(27)14-17-6-4-3-5-7-17)22(28)26-12-10-25(11-13-26)15-18-8-9-19(23)29-18/h3-9,16,21H,10-15H2,1-2H3,(H,24,27)/p+1/t21-/m0/s1