methyl-[[3-(1-quinolin-8-ylsulfonylpiperidin-4-yl)oxyphenyl]methyl]-(thiophen-2-ylmethyl)azanium

Systemtic Name: methyl-[[3-(1-quinolin-8-ylsulfonylpiperidin-4-yl)oxyphenyl]methyl]-(thiophen-2-ylmethyl)azanium Openeye Name: methyl-[[3-[[1-(8-quinolylsulfonyl)-4-piperidyl]oxy]phenyl]methyl]-(2-thienylmethyl)ammonium CAS Name: methyl-[[3-[[1-(8-quinolinylsulfonyl)-4-piperidinyl]oxy]phenyl]methyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: methyl-[[3-(1-quinolin-8-ylsulfonylpiperidin-4-yl)oxyphenyl]methyl]-(thiophen-2-ylmethyl)azanium Traditional Name: methyl-[3-[[1-(8-quinolylsulfonyl)-4-piperidyl]oxy]benzyl]-(2-thenyl)ammonium Formula: C27H30N3O3S2+ MolecularWeight: 508.6754

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=CC=C1)OC2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)CC5=CC=CS5

Isomeric SMILES

C[NH+](CC1=CC(=CC=C1)OC2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)CC5=CC=CS5

InChI

InChI=1S/C27H29N3O3S2/c1-29(20-25-10-5-17-34-25)19-21-6-2-9-24(18-21)33-23-12-15-30(16-13-23)35(31,32)26-11-3-7-22-8-4-14-28-27(22)26/h2-11,14,17-18,23H,12-13,15-16,19-20H2,1H3/p+1