1-[(3S)-3-methylpiperidin-1-yl]sulfonyl-1,4-diazepan-4-ium

Systemtic Name: 1-[(3S)-3-methylpiperidin-1-yl]sulfonyl-1,4-diazepan-4-ium Openeye Name: 1-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-1,4-diazepan-4-ium CAS Name: 1-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-1,4-diazepan-4-ium IUPAC Name: 1-[(3S)-3-methylpiperidin-1-yl]sulfonyl-1,4-diazepan-4-ium Traditional Name: 1-[(3S)-3-methylpiperidino]sulfonyl-1,4-diazepan-4-ium Formula: C11H24N3O2S+ MolecularWeight: 262.39216

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)N2CCC[NH2+]CC2

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)N2CCC[NH2+]CC2

InChI

InChI=1S/C11H23N3O2S/c1-11-4-2-7-14(10-11)17(15,16)13-8-3-5-12-6-9-13/h11-12H,2-10H2,1H3/p+1/t11-/m0/s1