(2-prop-2-ynoxyphenyl)methyl-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]azanium

Systemtic Name: (2-prop-2-ynoxyphenyl)methyl-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]azanium Openeye Name: (2-prop-2-ynoxyphenyl)methyl-[(4S)-4,5,6,7-tetrahydrobenzofuran-4-yl]ammonium CAS Name: (2-prop-2-ynoxyphenyl)methyl-[(4S)-4,5,6,7-tetrahydrobenzofuran-4-yl]ammonium IUPAC Name: (2-prop-2-ynoxyphenyl)methyl-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]azanium Traditional Name: (2-propargyloxybenzyl)-[(4S)-4,5,6,7-tetrahydrobenzofuran-4-yl]ammonium Formula: C18H20NO2+ MolecularWeight: 282.3569

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=CC=CC=C1C[NH2+]C2CCCC3=C2C=CO3

Isomeric SMILES

C#CCOC1=CC=CC=C1C[NH2+][C@H]2CCCC3=C2C=CO3

InChI

InChI=1S/C18H19NO2/c1-2-11-20-17-8-4-3-6-14(17)13-19-16-7-5-9-18-15(16)10-12-21-18/h1,3-4,6,8,10,12,16,19H,5,7,9,11,13H2/p+1/t16-/m0/s1