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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H27N3O3S/c1-12-4-3-7-16(10-12)14(18)13(2)11-21(19,20)17-8-5-15-6-9-17/h12-13,15H,3-11H2,1-2H3/p+1/t12-,13+/m0/s1