(2S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-2-phenylsulfanyl-propanamide

Systemtic Name: (2S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-2-phenylsulfanyl-propanamide Openeye Name: (2S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-2-phenylsulfanyl-propanamide CAS Name: (2S)-N-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]-2-(phenylthio)propanamide IUPAC Name: (2S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]-2-phenylsulfanylpropanamide Traditional Name: (2S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-2-(phenylthio)propionamide Formula: C22H30N3OS+ MolecularWeight: 384.5581

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C(C)SC3=CC=CC=C3)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)[C@H](C)SC3=CC=CC=C3)C

InChI

InChI=1S/C22H29N3OS/c1-4-24-12-14-25(15-13-24)19-10-11-21(17(2)16-19)23-22(26)18(3)27-20-8-6-5-7-9-20/h5-11,16,18H,4,12-15H2,1-3H3,(H,23,26)/p+1/t18-/m0/s1