1-[1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]azepan-1-ium

Systemtic Name: 1-[1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]azepan-1-ium Openeye Name: 1-[1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]azepan-1-ium CAS Name: 1-[1-[(4-ethoxyphenyl)methyl]-4-piperidin-1-iumyl]azepan-1-ium IUPAC Name: 1-[1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]azepan-1-ium Traditional Name: 1-[1-(4-ethoxybenzyl)piperidin-1-ium-4-yl]azepan-1-ium Formula: C20H34N2O+2 MolecularWeight: 318.49676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCC(CC2)[NH+]3CCCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCC(CC2)[NH+]3CCCCCC3

InChI

InChI=1S/C20H32N2O/c1-2-23-20-9-7-18(8-10-20)17-21-15-11-19(12-16-21)22-13-5-3-4-6-14-22/h7-10,19H,2-6,11-17H2,1H3/p+2