[(3S)-1-(2-methoxy-5-methyl-phenyl)sulfonylpiperidin-3-yl]-methyl-phenethyl-azanium

Systemtic Name: [(3S)-1-(2-methoxy-5-methyl-phenyl)sulfonylpiperidin-3-yl]-methyl-phenethyl-azanium Openeye Name: [(3S)-1-(2-methoxy-5-methyl-phenyl)sulfonyl-3-piperidyl]-methyl-phenethyl-ammonium CAS Name: [(3S)-1-(2-methoxy-5-methylphenyl)sulfonyl-3-piperidinyl]-methyl-phenethylammonium IUPAC Name: [(3S)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]-methyl-phenethylazanium Traditional Name: [(3S)-1-(2-methoxy-5-methyl-phenyl)sulfonyl-3-piperidyl]-methyl-phenethyl-ammonium Formula: C22H31N2O3S+ MolecularWeight: 403.55814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC(C2)[NH+](C)CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC[C@@H](C2)[NH+](C)CCC3=CC=CC=C3

InChI

InChI=1S/C22H30N2O3S/c1-18-11-12-21(27-3)22(16-18)28(25,26)24-14-7-10-20(17-24)23(2)15-13-19-8-5-4-6-9-19/h4-6,8-9,11-12,16,20H,7,10,13-15,17H2,1-3H3/p+1/t20-/m0/s1