(2R)-N-phenyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-phenyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-phenyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-phenyl-2-[4-(4-propylphenyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-phenyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-phenyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@H](C)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O3S/c1-3-7-19-10-12-21(13-11-19)29(27,28)25-16-14-24(15-17-25)18(2)22(26)23-20-8-5-4-6-9-20/h4-6,8-13,18H,3,7,14-17H2,1-2H3,(H,23,26)/p+1/t18-/m1/s1