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

Systemtic Name: (3S)-1-[(4,5-dimethylfuran-2-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)piperidin-1-ium-3-amine Openeye Name: (3S)-1-[(4,5-dimethyl-2-furyl)methyl]-N-ethyl-N-(4-pyridylmethyl)piperidin-1-ium-3-amine CAS Name: (3S)-1-[(4,5-dimethyl-2-furanyl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[(4,5-dimethylfuran-2-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)piperidin-1-ium-3-amine Traditional Name: [(3S)-1-[(4,5-dimethyl-2-furyl)methyl]piperidin-1-ium-3-yl]-ethyl-(4-pyridylmethyl)amine Formula: C20H30N3O+ MolecularWeight: 328.4717

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O/c1-4-23(13-18-7-9-21-10-8-18)19-6-5-11-22(14-19)15-20-12-16(2)17(3)24-20/h7-10,12,19H,4-6,11,13-15H2,1-3H3/p+1/t19-/m0/s1