(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propanamide

Systemtic Name: (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propanamide Openeye Name: (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propanamide CAS Name: (2S)-N-[2-(1-cyclohexenyl)ethyl]-2-methyl-3-(1-piperazin-4-iumylsulfonyl)propanamide IUPAC Name: (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-piperazin-4-ium-1-ylsulfonylpropanamide Traditional Name: (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propionamide Formula: C16H30N3O3S+ MolecularWeight: 344.4927

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)(=O)N1CC[NH2+]CC1)C(=O)NCCC2=CCCCC2

Isomeric SMILES

C[C@H](CS(=O)(=O)N1CC[NH2+]CC1)C(=O)NCCC2=CCCCC2

InChI

InChI=1S/C16H29N3O3S/c1-14(13-23(21,22)19-11-9-17-10-12-19)16(20)18-8-7-15-5-3-2-4-6-15/h5,14,17H,2-4,6-13H2,1H3,(H,18,20)/p+1/t14-/m1/s1