(3S)-N-[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]-N-methyl-1-phenethyl-piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]-N-methyl-1-phenethyl-piperidin-1-ium-3-amine Openeye Name: (3S)-N-[1-(2-furylmethyl)piperidin-1-ium-4-yl]-N-methyl-1-phenethyl-piperidin-1-ium-3-amine CAS Name: (3S)-N-[1-(2-furanylmethyl)-4-piperidin-1-iumyl]-N-methyl-1-phenethyl-3-piperidin-1-iumamine IUPAC Name: (3S)-N-[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]-N-methyl-1-phenethylpiperidin-1-ium-3-amine Traditional Name: [1-(2-furfuryl)piperidin-1-ium-4-yl]-methyl-[(3S)-1-phenethylpiperidin-1-ium-3-yl]amine Formula: C24H37N3O+2 MolecularWeight: 383.57008

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CC[NH+](CC1)CC2=CC=CO2)C3CCC[NH+](C3)CCC4=CC=CC=C4

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CCC2=CC=CC=C2)C3CC[NH+](CC3)CC4=CC=CO4

InChI

InChI=1S/C24H35N3O/c1-25(22-12-16-27(17-13-22)20-24-10-6-18-28-24)23-9-5-14-26(19-23)15-11-21-7-3-2-4-8-21/h2-4,6-8,10,18,22-23H,5,9,11-17,19-20H2,1H3/p+2/t23-/m0/s1