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

Systemtic Name: [1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl-[(2-prop-2-enoxyphenyl)methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: (2-allyloxyphenyl)methyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-(4-pyridylmethyl)ammonium CAS Name: [1-(1-methyl-4-piperidin-1-iumyl)-4-piperidin-1-iumyl]methyl-[(2-prop-2-enoxyphenyl)methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: [1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl-[(2-prop-2-enoxyphenyl)methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: (2-allyloxybenzyl)-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-(4-pyridylmethyl)ammonium Formula: C28H43N4O+3 MolecularWeight: 451.66722

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+]2CCC(CC2)C[NH+](CC3=CC=NC=C3)CC4=CC=CC=C4OCC=C

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+]2CCC(CC2)C[NH+](CC3=CC=NC=C3)CC4=CC=CC=C4OCC=C

InChI

InChI=1S/C28H40N4O/c1-3-20-33-28-7-5-4-6-26(28)23-31(21-24-8-14-29-15-9-24)22-25-10-18-32(19-11-25)27-12-16-30(2)17-13-27/h3-9,14-15,25,27H,1,10-13,16-23H2,2H3/p+3