1-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)piperazin-4-ium

Systemtic Name: 1-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)piperazin-4-ium Openeye Name: 1-[2-methyl-5-(1-piperidylsulfonyl)phenyl]piperazin-4-ium CAS Name: 1-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]piperazin-4-ium IUPAC Name: 1-(2-methyl-5-piperidin-1-ylsulfonylphenyl)piperazin-4-ium Traditional Name: 1-(2-methyl-5-piperidinosulfonyl-phenyl)piperazin-4-ium Formula: C16H26N3O2S+ MolecularWeight: 324.46154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)N3CC[NH2+]CC3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)N3CC[NH2+]CC3

InChI

InChI=1S/C16H25N3O2S/c1-14-5-6-15(13-16(14)18-11-7-17-8-12-18)22(20,21)19-9-3-2-4-10-19/h5-6,13,17H,2-4,7-12H2,1H3/p+1