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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-3-yl]piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)-3-piperidyl]piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidinyl]piperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-3-yl]piperazin-1-ium Traditional Name: 1-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)-3-piperidyl]-4-piperonyl-piperazin-4-ium Formula: C23H38N4O2+2 MolecularWeight: 402.57342

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N2CCCC(C2)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C[NH+]1CCC(CC1)N2CCC[C@@H](C2)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H36N4O2/c1-24-9-6-20(7-10-24)27-8-2-3-21(17-27)26-13-11-25(12-14-26)16-19-4-5-22-23(15-19)29-18-28-22/h4-5,15,20-21H,2-3,6-14,16-18H2,1H3/p+2/t21-/m0/s1