3-phenyl-N-[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylethyl]propanamide

Systemtic Name: 3-phenyl-N-[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylethyl]propanamide Openeye Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)sulfonylethyl]-3-phenyl-propanamide CAS Name: 3-phenyl-N-[2-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]ethyl]propanamide IUPAC Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)sulfonylethyl]-3-phenylpropanamide Traditional Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)sulfonylethyl]-3-phenyl-propionamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)CCNC(=O)CCC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)CCNC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O3S/c26-22(12-11-20-7-3-1-4-8-20)23-13-18-29(27,28)25-16-14-24(15-17-25)19-21-9-5-2-6-10-21/h1-10H,11-19H2,(H,23,26)/p+1