3-piperidin-1-ium-1-ylpropyl-[(4-prop-2-enoxyphenyl)methyl]azanium

Systemtic Name: 3-piperidin-1-ium-1-ylpropyl-[(4-prop-2-enoxyphenyl)methyl]azanium Openeye Name: (4-allyloxyphenyl)methyl-(3-piperidin-1-ium-1-ylpropyl)ammonium CAS Name: 3-(1-piperidin-1-iumyl)propyl-[(4-prop-2-enoxyphenyl)methyl]ammonium IUPAC Name: 3-piperidin-1-ium-1-ylpropyl-[(4-prop-2-enoxyphenyl)methyl]azanium Traditional Name: (4-allyloxybenzyl)-(3-piperidin-1-ium-1-ylpropyl)ammonium Formula: C18H30N2O+2 MolecularWeight: 290.4436

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=C(C=C1)C[NH2+]CCC[NH+]2CCCCC2

Isomeric SMILES

C=CCOC1=CC=C(C=C1)C[NH2+]CCC[NH+]2CCCCC2

InChI

InChI=1S/C18H28N2O/c1-2-15-21-18-9-7-17(8-10-18)16-19-11-6-14-20-12-4-3-5-13-20/h2,7-10,19H,1,3-6,11-16H2/p+2