(2S)-2-[4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-1-ium-1-yl]-N-(2-methoxyphenyl)propanamide

Systemtic Name: (2S)-2-[4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-1-ium-1-yl]-N-(2-methoxyphenyl)propanamide Openeye Name: (2S)-2-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-ium-1-yl]-N-(2-methoxyphenyl)propanamide CAS Name: (2S)-2-[4-[(3S)-1,1-dioxo-3-thiolanyl]-1-piperazin-1-iumyl]-N-(2-methoxyphenyl)propanamide IUPAC Name: (2S)-2-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-ium-1-yl]-N-(2-methoxyphenyl)propanamide Traditional Name: (2S)-2-[4-[(3S)-1,1-diketothiolan-3-yl]piperazin-1-ium-1-yl]-N-(2-methoxyphenyl)propionamide Formula: C18H28N3O4S+ MolecularWeight: 382.49762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1OC)[NH+]2CCN(CC2)C3CCS(=O)(=O)C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1OC)[NH+]2CCN(CC2)[C@H]3CCS(=O)(=O)C3

InChI

InChI=1S/C18H27N3O4S/c1-14(18(22)19-16-5-3-4-6-17(16)25-2)20-8-10-21(11-9-20)15-7-12-26(23,24)13-15/h3-6,14-15H,7-13H2,1-2H3,(H,19,22)/p+1/t14-,15-/m0/s1