1-(3-methyl-5-piperidin-1-ylsulfonyl-phenyl)piperazin-4-ium

Systemtic Name: 1-(3-methyl-5-piperidin-1-ylsulfonyl-phenyl)piperazin-4-ium Openeye Name: 1-[3-methyl-5-(1-piperidylsulfonyl)phenyl]piperazin-4-ium CAS Name: 1-[3-methyl-5-(1-piperidinylsulfonyl)phenyl]piperazin-4-ium IUPAC Name: 1-(3-methyl-5-piperidin-1-ylsulfonylphenyl)piperazin-4-ium Traditional Name: 1-(3-methyl-5-piperidinosulfonyl-phenyl)piperazin-4-ium Formula: C16H26N3O2S+ MolecularWeight: 324.46154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O2S/c1-14-11-15(18-9-5-17-6-10-18)13-16(12-14)22(20,21)19-7-3-2-4-8-19/h11-13,17H,2-10H2,1H3/p+1