(5-methylthiophen-2-yl)-[4-[3-[(4-pyridin-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]piperidin-1-yl]methanone

Systemtic Name: (5-methylthiophen-2-yl)-[4-[3-[(4-pyridin-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]piperidin-1-yl]methanone Openeye Name: (5-methyl-2-thienyl)-[4-[3-[[4-(2-pyridyl)piperazin-1-ium-1-yl]methyl]phenoxy]-1-piperidyl]methanone CAS Name: (5-methyl-2-thiophenyl)-[4-[3-[[4-(2-pyridinyl)-1-piperazin-1-iumyl]methyl]phenoxy]-1-piperidinyl]methanone IUPAC Name: (5-methylthiophen-2-yl)-[4-[3-[(4-pyridin-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]piperidin-1-yl]methanone Traditional Name: (5-methyl-2-thienyl)-[4-[3-[[4-(2-pyridyl)piperazin-1-ium-1-yl]methyl]phenoxy]piperidino]methanone Formula: C27H33N4O2S+ MolecularWeight: 477.64152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)N2CCC(CC2)OC3=CC=CC(=C3)C[NH+]4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

CC1=CC=C(S1)C(=O)N2CCC(CC2)OC3=CC=CC(=C3)C[NH+]4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C27H32N4O2S/c1-21-8-9-25(34-21)27(32)31-13-10-23(11-14-31)33-24-6-4-5-22(19-24)20-29-15-17-30(18-16-29)26-7-2-3-12-28-26/h2-9,12,19,23H,10-11,13-18,20H2,1H3/p+1