(2S)-1-[(2S)-2-ethylpiperidin-1-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-1-one

Systemtic Name: (2S)-1-[(2S)-2-ethylpiperidin-1-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-1-one Openeye Name: (2S)-1-[(2S)-2-ethyl-1-piperidyl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propan-1-one CAS Name: (2S)-1-[(2S)-2-ethyl-1-piperidinyl]-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)-1-propanone IUPAC Name: (2S)-1-[(2S)-2-ethylpiperidin-1-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-1-one Traditional Name: (2S)-1-[(2S)-2-ethylpiperidino]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propan-1-one Formula: C18H30N3O3S2+ MolecularWeight: 400.5791

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)C(C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC[C@H]1CCCCN1C(=O)[C@H](C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H29N3O3S2/c1-3-16-7-4-5-9-21(16)18(22)15(2)19-10-12-20(13-11-19)26(23,24)17-8-6-14-25-17/h6,8,14-16H,3-5,7,9-13H2,1-2H3/p+1/t15-,16-/m0/s1