1H-imidazol-2-ylmethyl-methyl-[[3-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)oxyphenyl]methyl]azanium

Systemtic Name: 1H-imidazol-2-ylmethyl-methyl-[[3-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)oxyphenyl]methyl]azanium Openeye Name: 1H-imidazol-2-ylmethyl-methyl-[[3-[[1-(2-naphthylsulfonyl)-4-piperidyl]oxy]phenyl]methyl]ammonium CAS Name: 1H-imidazol-2-ylmethyl-methyl-[[3-[[1-(2-naphthalenylsulfonyl)-4-piperidinyl]oxy]phenyl]methyl]ammonium IUPAC Name: 1H-imidazol-2-ylmethyl-methyl-[[3-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)oxyphenyl]methyl]azanium Traditional Name: 1H-imidazol-2-ylmethyl-methyl-[3-[[1-(2-naphthylsulfonyl)-4-piperidyl]oxy]benzyl]ammonium Formula: C27H31N4O3S+ MolecularWeight: 491.62504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=CC=C1)OC2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)CC5=NC=CN5

Isomeric SMILES

C[NH+](CC1=CC(=CC=C1)OC2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)CC5=NC=CN5

InChI

InChI=1S/C27H30N4O3S/c1-30(20-27-28-13-14-29-27)19-21-5-4-8-25(17-21)34-24-11-15-31(16-12-24)35(32,33)26-10-9-22-6-2-3-7-23(22)18-26/h2-10,13-14,17-18,24H,11-12,15-16,19-20H2,1H3,(H,28,29)/p+1