1-[1-(3-chloranyl-4-methyl-phenyl)sulfonylpiperidin-4-yl]azepan-1-ium

Systemtic Name: 1-[1-(3-chloranyl-4-methyl-phenyl)sulfonylpiperidin-4-yl]azepan-1-ium Openeye Name: 1-[1-(3-chloro-4-methyl-phenyl)sulfonyl-4-piperidyl]azepan-1-ium CAS Name: 1-[1-(3-chloro-4-methylphenyl)sulfonyl-4-piperidinyl]azepan-1-ium IUPAC Name: 1-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]azepan-1-ium Traditional Name: 1-[1-(3-chloro-4-methyl-phenyl)sulfonyl-4-piperidyl]azepan-1-ium Formula: C18H28ClN2O2S+ MolecularWeight: 371.94512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)[NH+]3CCCCCC3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)[NH+]3CCCCCC3)Cl

InChI

InChI=1S/C18H27ClN2O2S/c1-15-6-7-17(14-18(15)19)24(22,23)21-12-8-16(9-13-21)20-10-4-2-3-5-11-20/h6-7,14,16H,2-5,8-13H2,1H3/p+1