(2S,6S)-2,6-dimethyl-4-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]morpholine

Systemtic Name: (2S,6S)-2,6-dimethyl-4-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]morpholine Openeye Name: (2S,6S)-2,6-dimethyl-4-[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]morpholine CAS Name: (2S,6S)-2,6-dimethyl-4-[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]morpholine IUPAC Name: (2S,6S)-2,6-dimethyl-4-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]morpholine Traditional Name: (2S,6S)-2,6-dimethyl-4-[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]morpholine Formula: C16H27N4O3S+ MolecularWeight: 355.47558

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C2=NC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

C[C@H]1CN(C[C@@H](O1)C)C2=NC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C16H26N4O3S/c1-13-11-19(12-14(2)23-13)16-5-4-15(10-17-16)24(21,22)20-8-6-18(3)7-9-20/h4-5,10,13-14H,6-9,11-12H2,1-3H3/p+1/t13-,14-/m0/s1