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

Systemtic Name: [(3S)-1-[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone Openeye Name: [(3S)-1-[1-(2-furylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone CAS Name: [(3S)-1-[1-(2-furanylmethyl)-4-piperidin-1-iumyl]-3-piperidin-1-iumyl]-(3-methoxyphenyl)methanone IUPAC Name: [(3S)-1-[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone Traditional Name: [(3S)-1-[1-(2-furfuryl)piperidin-1-ium-4-yl]piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone Formula: C23H32N2O3+2 MolecularWeight: 384.51178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C2CCC[NH+](C2)C3CC[NH+](CC3)CC4=CC=CO4

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)[C@H]2CCC[NH+](C2)C3CC[NH+](CC3)CC4=CC=CO4

InChI

InChI=1S/C23H30N2O3/c1-27-21-7-2-5-18(15-21)23(26)19-6-3-11-25(16-19)20-9-12-24(13-10-20)17-22-8-4-14-28-22/h2,4-5,7-8,14-15,19-20H,3,6,9-13,16-17H2,1H3/p+2/t19-/m0/s1