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

Systemtic Name: methyl-[[3-(1-quinolin-8-ylsulfonylpiperidin-4-yl)oxyphenyl]methyl]-(thiophen-3-ylmethyl)azanium Openeye Name: methyl-[[3-[[1-(8-quinolylsulfonyl)-4-piperidyl]oxy]phenyl]methyl]-(3-thienylmethyl)ammonium CAS Name: methyl-[[3-[[1-(8-quinolinylsulfonyl)-4-piperidinyl]oxy]phenyl]methyl]-(3-thiophenylmethyl)ammonium IUPAC Name: methyl-[[3-(1-quinolin-8-ylsulfonylpiperidin-4-yl)oxyphenyl]methyl]-(thiophen-3-ylmethyl)azanium Traditional Name: methyl-[3-[[1-(8-quinolylsulfonyl)-4-piperidyl]oxy]benzyl]-(3-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=CSC=C5

Isomeric SMILES

C[NH+](CC1=CC(=CC=C1)OC2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)CC5=CSC=C5

InChI

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