[1-(phenylmethyl)piperidin-1-ium-4-yl]-[(2-prop-2-ynoxyphenyl)methyl]azanium

Systemtic Name: [1-(phenylmethyl)piperidin-1-ium-4-yl]-[(2-prop-2-ynoxyphenyl)methyl]azanium Openeye Name: (1-benzylpiperidin-1-ium-4-yl)-[(2-prop-2-ynoxyphenyl)methyl]ammonium CAS Name: [1-(phenylmethyl)-4-piperidin-1-iumyl]-[(2-prop-2-ynoxyphenyl)methyl]ammonium IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-[(2-prop-2-ynoxyphenyl)methyl]azanium Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-(2-propargyloxybenzyl)ammonium Formula: C22H28N2O+2 MolecularWeight: 336.47052

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=CC=CC=C1C[NH2+]C2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

C#CCOC1=CC=CC=C1C[NH2+]C2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O/c1-2-16-25-22-11-7-6-10-20(22)17-23-21-12-14-24(15-13-21)18-19-8-4-3-5-9-19/h1,3-11,21,23H,12-18H2/p+2