1-[5-(2-methoxy-4-prop-2-enyl-phenoxy)pentyl]-4-methyl-piperidin-1-ium

Systemtic Name: 1-[5-(2-methoxy-4-prop-2-enyl-phenoxy)pentyl]-4-methyl-piperidin-1-ium Openeye Name: 1-[5-(4-allyl-2-methoxy-phenoxy)pentyl]-4-methyl-piperidin-1-ium CAS Name: 1-[5-(2-methoxy-4-prop-2-enylphenoxy)pentyl]-4-methylpiperidin-1-ium IUPAC Name: 1-[5-(2-methoxy-4-prop-2-enylphenoxy)pentyl]-4-methylpiperidin-1-ium Traditional Name: 1-[5-(4-allyl-2-methoxy-phenoxy)pentyl]-4-methyl-piperidin-1-ium Formula: C21H34NO2+ MolecularWeight: 332.50016

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCCCCOC2=C(C=C(C=C2)CC=C)OC

Isomeric SMILES

CC1CC[NH+](CC1)CCCCCOC2=C(C=C(C=C2)CC=C)OC

InChI

InChI=1S/C21H33NO2/c1-4-8-19-9-10-20(21(17-19)23-3)24-16-7-5-6-13-22-14-11-18(2)12-15-22/h4,9-10,17-18H,1,5-8,11-16H2,2-3H3/p+1