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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-(1-propylpiperidin-1-ium-4-yl)piperidin-3-yl]piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-(1-propylpiperidin-1-ium-4-yl)-3-piperidyl]piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-(1-propyl-4-piperidin-1-iumyl)-3-piperidinyl]piperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-(1-propylpiperidin-1-ium-4-yl)piperidin-3-yl]piperazin-1-ium Traditional Name: 1-piperonyl-4-[(3S)-1-(1-propylpiperidin-1-ium-4-yl)-3-piperidyl]piperazin-1-ium Formula: C25H42N4O2+2 MolecularWeight: 430.62658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H40N4O2/c1-2-9-26-11-7-22(8-12-26)29-10-3-4-23(19-29)28-15-13-27(14-16-28)18-21-5-6-24-25(17-21)31-20-30-24/h5-6,17,22-23H,2-4,7-16,18-20H2,1H3/p+2/t23-/m0/s1