1-[(4-ethoxyphenyl)methyl]-4-[(3S)-3-methylpiperidin-1-ium-1-yl]piperidin-1-ium

Systemtic Name: 1-[(4-ethoxyphenyl)methyl]-4-[(3S)-3-methylpiperidin-1-ium-1-yl]piperidin-1-ium Openeye Name: 1-[(4-ethoxyphenyl)methyl]-4-[(3S)-3-methylpiperidin-1-ium-1-yl]piperidin-1-ium CAS Name: 1-[(4-ethoxyphenyl)methyl]-4-[(3S)-3-methyl-1-piperidin-1-iumyl]piperidin-1-ium IUPAC Name: 1-[(4-ethoxyphenyl)methyl]-4-[(3S)-3-methylpiperidin-1-ium-1-yl]piperidin-1-ium Traditional Name: 1-(4-ethoxybenzyl)-4-[(3S)-3-methylpiperidin-1-ium-1-yl]piperidin-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+]3CCCC(C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCC(CC2)[NH+]3CCC[C@@H](C3)C

InChI

InChI=1S/C20H32N2O/c1-3-23-20-8-6-18(7-9-20)16-21-13-10-19(11-14-21)22-12-4-5-17(2)15-22/h6-9,17,19H,3-5,10-16H2,1-2H3/p+2/t17-/m0/s1