1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]piperazin-1-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]piperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]piperazin-1-ium Traditional Name: 1-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-4-piperonyl-piperazin-4-ium Formula: C26H35N3O2+2 MolecularWeight: 421.575

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CC3=CC=CC=C3C2)N4CC[NH+](CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CC3=CC=CC=C3C2)N4CC[NH+](CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C26H33N3O2/c1-2-5-22-16-24(15-21(22)4-1)29-9-3-6-23(18-29)28-12-10-27(11-13-28)17-20-7-8-25-26(14-20)31-19-30-25/h1-2,4-5,7-8,14,23-24H,3,6,9-13,15-19H2/p+2/t23-/m0/s1