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

Systemtic Name: (3-methylthiophen-2-yl)-[4-[3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]piperidin-1-yl]methanone Openeye Name: (3-methyl-2-thienyl)-[4-[3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]-1-piperidyl]methanone CAS Name: (3-methyl-2-thiophenyl)-[4-[3-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]phenoxy]-1-piperidinyl]methanone IUPAC Name: (3-methylthiophen-2-yl)-[4-[3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]piperidin-1-yl]methanone Traditional Name: (3-methyl-2-thienyl)-[4-[3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]piperidino]methanone Formula: C27H34N4O2S+2 MolecularWeight: 478.64946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)N2CCC(CC2)OC3=CC=CC(=C3)C[NH+]4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

CC1=C(SC=C1)C(=O)N2CCC(CC2)OC3=CC=CC(=C3)C[NH+]4CCN(CC4)C5=CC=CC=[NH+]5

InChI

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