[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-phenethyl-(phenylmethyl)azanium

Systemtic Name: [1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-phenethyl-(phenylmethyl)azanium Openeye Name: benzyl-[1-(4-methoxyphenyl)sulfonyl-4-piperidyl]-phenethyl-ammonium CAS Name: [1-(4-methoxyphenyl)sulfonyl-4-piperidinyl]-phenethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-phenethylazanium Traditional Name: benzyl-[1-(4-methoxyphenyl)sulfonyl-4-piperidyl]-phenethyl-ammonium Formula: C27H33N2O3S+ MolecularWeight: 465.62752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)[NH+](CCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)[NH+](CCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C27H32N2O3S/c1-32-26-12-14-27(15-13-26)33(30,31)29-20-17-25(18-21-29)28(22-24-10-6-3-7-11-24)19-16-23-8-4-2-5-9-23/h2-15,25H,16-22H2,1H3/p+1