(2S)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-propyl-propanamide

Systemtic Name: (2S)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-propyl-propanamide Openeye Name: (2S)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-propyl-propanamide CAS Name: (2S)-2-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-propylpropanamide IUPAC Name: (2S)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-propylpropanamide Traditional Name: (2S)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-propyl-propionamide Formula: C18H30N3O3S+ MolecularWeight: 368.5141

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)C)C

Isomeric SMILES

CCCNC(=O)[C@H](C)[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)C)C

InChI

InChI=1S/C18H29N3O3S/c1-5-8-19-18(22)16(4)20-9-11-21(12-10-20)25(23,24)17-7-6-14(2)15(3)13-17/h6-7,13,16H,5,8-12H2,1-4H3,(H,19,22)/p+1/t16-/m0/s1