(3S)-N-ethyl-1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-(pyridin-4-ylmethyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-ethyl-1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-(pyridin-4-ylmethyl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-ethyl-1-[[5-(methoxymethyl)-2-furyl]methyl]-N-(4-pyridylmethyl)piperidin-1-ium-3-amine CAS Name: (3S)-N-ethyl-1-[[5-(methoxymethyl)-2-furanyl]methyl]-N-(pyridin-4-ylmethyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-N-ethyl-1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-(pyridin-4-ylmethyl)piperidin-1-ium-3-amine Traditional Name: ethyl-[(3S)-1-[[5-(methoxymethyl)-2-furyl]methyl]piperidin-1-ium-3-yl]-(4-pyridylmethyl)amine Formula: C20H30N3O2+ MolecularWeight: 344.4711

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=NC=C1)C2CCC[NH+](C2)CC3=CC=C(O3)COC

Isomeric SMILES

CCN(CC1=CC=NC=C1)[C@H]2CCC[NH+](C2)CC3=CC=C(O3)COC

InChI

InChI=1S/C20H29N3O2/c1-3-23(13-17-8-10-21-11-9-17)18-5-4-12-22(14-18)15-19-6-7-20(25-19)16-24-2/h6-11,18H,3-5,12-16H2,1-2H3/p+1/t18-/m0/s1