3-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-4-yl]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one

Systemtic Name: 3-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-4-yl]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Openeye Name: 3-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-4-yl]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one CAS Name: 3-[1-(1,3-benzodioxol-4-ylmethyl)-4-piperidin-1-iumyl]-1-(4-ethyl-1-piperazin-4-iumyl)-1-propanone IUPAC Name: 3-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-4-yl]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: 3-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-4-yl]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Formula: C22H35N3O3+2 MolecularWeight: 389.5316

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)CCC2CC[NH+](CC2)CC3=C4C(=CC=C3)OCO4

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)CCC2CC[NH+](CC2)CC3=C4C(=CC=C3)OCO4

InChI

InChI=1S/C22H33N3O3/c1-2-23-12-14-25(15-13-23)21(26)7-6-18-8-10-24(11-9-18)16-19-4-3-5-20-22(19)28-17-27-20/h3-5,18H,2,6-17H2,1H3/p+2