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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-1-ium-3-yl]piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-1-ium-3-yl]piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-(1H-imidazol-5-ylmethyl)-3-piperidin-1-iumyl]piperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-1-ium-3-yl]piperazin-1-ium Traditional Name: 1-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-1-ium-3-yl]-4-piperonyl-piperazin-4-ium Formula: C21H31N5O2+2 MolecularWeight: 385.50314

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CN=CN2)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CN=CN2)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H29N5O2/c1-2-19(14-25(5-1)13-18-11-22-15-23-18)26-8-6-24(7-9-26)12-17-3-4-20-21(10-17)28-16-27-20/h3-4,10-11,15,19H,1-2,5-9,12-14,16H2,(H,22,23)/p+2/t19-/m0/s1