(2S)-N-(2,5-dimethylphenyl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(2,5-dimethylphenyl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(2,5-dimethylphenyl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(2,5-dimethylphenyl)-2-[4-(1-pyrrolidinylsulfonyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(2,5-dimethylphenyl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(2,5-dimethylphenyl)-2-(4-pyrrolidinosulfonylpiperazin-1-ium-1-yl)propionamide Formula: C19H31N4O3S+ MolecularWeight: 395.53944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C)[NH+]2CCN(CC2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@H](C)[NH+]2CCN(CC2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H30N4O3S/c1-15-6-7-16(2)18(14-15)20-19(24)17(3)21-10-12-23(13-11-21)27(25,26)22-8-4-5-9-22/h6-7,14,17H,4-5,8-13H2,1-3H3,(H,20,24)/p+1/t17-/m0/s1