(1-propan-2-ylpiperidin-1-ium-4-yl)-[(2-prop-2-ynoxyphenyl)methyl]azanium

Systemtic Name: (1-propan-2-ylpiperidin-1-ium-4-yl)-[(2-prop-2-ynoxyphenyl)methyl]azanium Openeye Name: (1-isopropylpiperidin-1-ium-4-yl)-[(2-prop-2-ynoxyphenyl)methyl]ammonium CAS Name: (1-propan-2-yl-4-piperidin-1-iumyl)-[(2-prop-2-ynoxyphenyl)methyl]ammonium IUPAC Name: (1-propan-2-ylpiperidin-1-ium-4-yl)-[(2-prop-2-ynoxyphenyl)methyl]azanium Traditional Name: (1-isopropylpiperidin-1-ium-4-yl)-(2-propargyloxybenzyl)ammonium Formula: C18H28N2O+2 MolecularWeight: 288.42772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)[NH2+]CC2=CC=CC=C2OCC#C

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)[NH2+]CC2=CC=CC=C2OCC#C

InChI

InChI=1S/C18H26N2O/c1-4-13-21-18-8-6-5-7-16(18)14-19-17-9-11-20(12-10-17)15(2)3/h1,5-8,15,17,19H,9-14H2,2-3H3/p+2