1-[(2S)-2-ethylpiperidin-1-yl]-3-piperazin-4-ium-1-ylsulfonyl-propan-1-one

Systemtic Name: 1-[(2S)-2-ethylpiperidin-1-yl]-3-piperazin-4-ium-1-ylsulfonyl-propan-1-one Openeye Name: 1-[(2S)-2-ethyl-1-piperidyl]-3-piperazin-4-ium-1-ylsulfonyl-propan-1-one CAS Name: 1-[(2S)-2-ethyl-1-piperidinyl]-3-(1-piperazin-4-iumylsulfonyl)-1-propanone IUPAC Name: 1-[(2S)-2-ethylpiperidin-1-yl]-3-piperazin-4-ium-1-ylsulfonylpropan-1-one Traditional Name: 1-[(2S)-2-ethylpiperidino]-3-piperazin-4-ium-1-ylsulfonyl-propan-1-one Formula: C14H28N3O3S+ MolecularWeight: 318.45542

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)CCS(=O)(=O)N2CC[NH2+]CC2

Isomeric SMILES

CC[C@H]1CCCCN1C(=O)CCS(=O)(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C14H27N3O3S/c1-2-13-5-3-4-9-17(13)14(18)6-12-21(19,20)16-10-7-15-8-11-16/h13,15H,2-12H2,1H3/p+1/t13-/m0/s1