[(3S)-1-[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-yl]-(3-methylthiophen-2-yl)methanone

Systemtic Name: [(3S)-1-[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-yl]-(3-methylthiophen-2-yl)methanone Openeye Name: [(3S)-1-[1-(2-furylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-yl]-(3-methyl-2-thienyl)methanone CAS Name: [(3S)-1-[1-(2-furanylmethyl)-4-piperidin-1-iumyl]-3-piperidin-1-iumyl]-(3-methyl-2-thiophenyl)methanone IUPAC Name: [(3S)-1-[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-yl]-(3-methylthiophen-2-yl)methanone Traditional Name: [(3S)-1-[1-(2-furfuryl)piperidin-1-ium-4-yl]piperidin-1-ium-3-yl]-(3-methyl-2-thienyl)methanone Formula: C21H30N2O2S+2 MolecularWeight: 374.5401

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)C2CCC[NH+](C2)C3CC[NH+](CC3)CC4=CC=CO4

Isomeric SMILES

CC1=C(SC=C1)C(=O)[C@H]2CCC[NH+](C2)C3CC[NH+](CC3)CC4=CC=CO4

InChI

InChI=1S/C21H28N2O2S/c1-16-8-13-26-21(16)20(24)17-4-2-9-23(14-17)18-6-10-22(11-7-18)15-19-5-3-12-25-19/h3,5,8,12-13,17-18H,2,4,6-7,9-11,14-15H2,1H3/p+2/t17-/m0/s1