(3R,5R)-1-[1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]-3,5-dimethyl-piperidin-1-ium

Systemtic Name: (3R,5R)-1-[1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]-3,5-dimethyl-piperidin-1-ium Openeye Name: (3R,5R)-1-[1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]-3,5-dimethyl-piperidin-1-ium CAS Name: (3R,5R)-1-[1-[(4-ethoxyphenyl)methyl]-4-piperidin-1-iumyl]-3,5-dimethylpiperidin-1-ium IUPAC Name: (3R,5R)-1-[1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]-3,5-dimethylpiperidin-1-ium Traditional Name: (3R,5R)-1-[1-(4-ethoxybenzyl)piperidin-1-ium-4-yl]-3,5-dimethyl-piperidin-1-ium Formula: C21H36N2O+2 MolecularWeight: 332.52334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N2O/c1-4-24-21-7-5-19(6-8-21)16-22-11-9-20(10-12-22)23-14-17(2)13-18(3)15-23/h5-8,17-18,20H,4,9-16H2,1-3H3/p+2/t17-,18-/m1/s1