(2-prop-2-ynoxyphenyl)methyl-(pyridin-4-ylmethyl)-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)azanium

Systemtic Name: (2-prop-2-ynoxyphenyl)methyl-(pyridin-4-ylmethyl)-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)azanium Openeye Name: (2-prop-2-ynoxyphenyl)methyl-(4-pyridylmethyl)-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)ammonium CAS Name: (2-prop-2-ynoxyphenyl)methyl-(pyridin-4-ylmethyl)-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)ammonium IUPAC Name: (2-prop-2-ynoxyphenyl)methyl-(pyridin-4-ylmethyl)-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)azanium Traditional Name: (2-propargyloxybenzyl)-(4-pyridylmethyl)-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)ammonium Formula: C25H35N3O+2 MolecularWeight: 393.5649

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)[NH+](CC2=CC=NC=C2)CC3=CC=CC=C3OCC#C)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)[NH+](CC2=CC=NC=C2)CC3=CC=CC=C3OCC#C)C

InChI

InChI=1S/C25H33N3O/c1-6-15-29-23-10-8-7-9-21(23)19-28(18-20-11-13-26-14-12-20)22-16-24(2,3)27-25(4,5)17-22/h1,7-14,22,27H,15-19H2,2-5H3/p+2