1-benzothiophen-2-ylmethyl-methyl-[[4-(1-pyridin-4-ylcarbonylpiperidin-4-yl)oxyphenyl]methyl]azanium

Systemtic Name: 1-benzothiophen-2-ylmethyl-methyl-[[4-(1-pyridin-4-ylcarbonylpiperidin-4-yl)oxyphenyl]methyl]azanium Openeye Name: benzothiophen-2-ylmethyl-methyl-[[4-[[1-(pyridine-4-carbonyl)-4-piperidyl]oxy]phenyl]methyl]ammonium CAS Name: 1-benzothiophen-2-ylmethyl-methyl-[[4-[[1-[oxo(pyridin-4-yl)methyl]-4-piperidinyl]oxy]phenyl]methyl]ammonium IUPAC Name: 1-benzothiophen-2-ylmethyl-methyl-[[4-[1-(pyridine-4-carbonyl)piperidin-4-yl]oxyphenyl]methyl]azanium Traditional Name: benzothiophen-2-ylmethyl-[4-[(1-isonicotinoyl-4-piperidyl)oxy]benzyl]-methyl-ammonium Formula: C28H30N3O2S+ MolecularWeight: 472.6217

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)OC2CCN(CC2)C(=O)C3=CC=NC=C3)CC4=CC5=CC=CC=C5S4

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)OC2CCN(CC2)C(=O)C3=CC=NC=C3)CC4=CC5=CC=CC=C5S4

InChI

InChI=1S/C28H29N3O2S/c1-30(20-26-18-23-4-2-3-5-27(23)34-26)19-21-6-8-24(9-7-21)33-25-12-16-31(17-13-25)28(32)22-10-14-29-15-11-22/h2-11,14-15,18,25H,12-13,16-17,19-20H2,1H3/p+1