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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)OC2CCN(CC2)C(=O)C3=CC=CC=N3)CC4=CC5=CC=CC=C5S4

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)OC2CCN(CC2)C(=O)C3=CC=CC=N3)CC4=CC5=CC=CC=C5S4

InChI

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