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

Systemtic Name: (2S)-N-(3-methoxyphenyl)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propanamide Openeye Name: (2S)-N-(3-methoxyphenyl)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propanamide CAS Name: (2S)-N-(3-methoxyphenyl)-2-methyl-3-(1-piperazin-4-iumylsulfonyl)propanamide IUPAC Name: (2S)-N-(3-methoxyphenyl)-2-methyl-3-piperazin-4-ium-1-ylsulfonylpropanamide Traditional Name: (2S)-N-(3-methoxyphenyl)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propionamide Formula: C15H24N3O4S+ MolecularWeight: 342.43376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3O4S/c1-12(11-23(20,21)18-8-6-16-7-9-18)15(19)17-13-4-3-5-14(10-13)22-2/h3-5,10,12,16H,6-9,11H2,1-2H3,(H,17,19)/p+1/t12-/m1/s1