1-benzothiophen-2-ylmethyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: 1-benzothiophen-2-ylmethyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: benzothiophen-2-ylmethyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-(4-pyridylmethyl)ammonium CAS Name: 1-benzothiophen-2-ylmethyl-[[1-(1-methyl-4-piperidin-1-iumyl)-4-piperidin-1-iumyl]methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: 1-benzothiophen-2-ylmethyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: benzothiophen-2-ylmethyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-(4-pyridylmethyl)ammonium Formula: C27H39N4S+3 MolecularWeight: 451.69036

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+]2CCC(CC2)C[NH+](CC3=CC=NC=C3)CC4=CC5=CC=CC=C5S4

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+]2CCC(CC2)C[NH+](CC3=CC=NC=C3)CC4=CC5=CC=CC=C5S4

InChI

InChI=1S/C27H36N4S/c1-29-14-10-25(11-15-29)31-16-8-23(9-17-31)20-30(19-22-6-12-28-13-7-22)21-26-18-24-4-2-3-5-27(24)32-26/h2-7,12-13,18,23,25H,8-11,14-17,19-21H2,1H3/p+3