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

Systemtic Name: 1-[(3S)-3-methylpiperidin-1-yl]-3-piperazin-4-ium-1-ylsulfonyl-propan-1-one Openeye Name: 1-[(3S)-3-methyl-1-piperidyl]-3-piperazin-4-ium-1-ylsulfonyl-propan-1-one CAS Name: 1-[(3S)-3-methyl-1-piperidinyl]-3-(1-piperazin-4-iumylsulfonyl)-1-propanone IUPAC Name: 1-[(3S)-3-methylpiperidin-1-yl]-3-piperazin-4-ium-1-ylsulfonylpropan-1-one Traditional Name: 1-[(3S)-3-methylpiperidino]-3-piperazin-4-ium-1-ylsulfonyl-propan-1-one Formula: C13H26N3O3S+ MolecularWeight: 304.42884

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CCS(=O)(=O)N2CC[NH2+]CC2

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)CCS(=O)(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C13H25N3O3S/c1-12-3-2-7-15(11-12)13(17)4-10-20(18,19)16-8-5-14-6-9-16/h12,14H,2-11H2,1H3/p+1/t12-/m0/s1