(2S)-N-(3-cyanophenyl)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propanamide

Systemtic Name: (2S)-N-(3-cyanophenyl)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propanamide Openeye Name: (2S)-N-(3-cyanophenyl)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propanamide CAS Name: (2S)-N-(3-cyanophenyl)-2-methyl-3-(1-piperazin-4-iumylsulfonyl)propanamide IUPAC Name: (2S)-N-(3-cyanophenyl)-2-methyl-3-piperazin-4-ium-1-ylsulfonylpropanamide Traditional Name: (2S)-N-(3-cyanophenyl)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propionamide Formula: C15H21N4O3S+ MolecularWeight: 337.41724

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)(=O)N1CC[NH2+]CC1)C(=O)NC2=CC=CC(=C2)C#N

Isomeric SMILES

C[C@H](CS(=O)(=O)N1CC[NH2+]CC1)C(=O)NC2=CC=CC(=C2)C#N

InChI

InChI=1S/C15H20N4O3S/c1-12(11-23(21,22)19-7-5-17-6-8-19)15(20)18-14-4-2-3-13(9-14)10-16/h2-4,9,12,17H,5-8,11H2,1H3,(H,18,20)/p+1/t12-/m1/s1