(3S)-N-(1,3-benzodioxol-5-yl)-1-[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[1-(2-furylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-amine CAS Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[1-(2-furanylmethyl)-4-piperidin-1-iumyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-amine Traditional Name: 1,3-benzodioxol-5-yl-[(3S)-1-[1-(2-furfuryl)piperidin-1-ium-4-yl]piperidin-1-ium-3-yl]amine Formula: C22H31N3O3+2 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CC[NH+](CC2)CC3=CC=CO3)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CC[NH+](CC2)CC3=CC=CO3)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H29N3O3/c1-3-18(23-17-5-6-21-22(13-17)28-16-27-21)14-25(9-1)19-7-10-24(11-8-19)15-20-4-2-12-26-20/h2,4-6,12-13,18-19,23H,1,3,7-11,14-16H2/p+2/t18-/m0/s1