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

Systemtic Name: (2R)-N-methyl-N-phenyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-methyl-N-phenyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-methyl-N-phenyl-2-[4-(4-propylphenyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-methyl-N-phenyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-methyl-N-phenyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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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)N(C)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O3S/c1-4-8-20-11-13-22(14-12-20)30(28,29)26-17-15-25(16-18-26)19(2)23(27)24(3)21-9-6-5-7-10-21/h5-7,9-14,19H,4,8,15-18H2,1-3H3/p+1/t19-/m1/s1