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

Systemtic Name: (2S)-N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-ethyl-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-[(3S)-1,1-dioxo-3-thiolanyl]-N-ethyl-2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-[(3S)-1,1-diketothiolan-3-yl]-N-ethyl-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propionamide Formula: C20H32N3O4S+ MolecularWeight: 410.55078

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCS(=O)(=O)C1)C(=O)C(C)[NH+]2CCN(CC2)C3=CC=CC=C3OC

Isomeric SMILES

CCN([C@H]1CCS(=O)(=O)C1)C(=O)[C@H](C)[NH+]2CCN(CC2)C3=CC=CC=C3OC

InChI

InChI=1S/C20H31N3O4S/c1-4-23(17-9-14-28(25,26)15-17)20(24)16(2)21-10-12-22(13-11-21)18-7-5-6-8-19(18)27-3/h5-8,16-17H,4,9-15H2,1-3H3/p+1/t16-,17-/m0/s1