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

Systemtic Name: 3-[(3R)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(3R)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one CAS Name: 3-[(3R)-1-(1,3-benzodioxol-4-ylmethyl)-3-piperidin-1-iumyl]-1-(4-methyl-1-piperazinyl)-1-propanone IUPAC Name: 3-[(3R)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(3R)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-yl]-1-(4-methylpiperazino)propan-1-one Formula: C21H32N3O3+ MolecularWeight: 374.49708

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CCC2CCC[NH+](C2)CC3=C4C(=CC=C3)OCO4

Isomeric SMILES

CN1CCN(CC1)C(=O)CC[C@H]2CCC[NH+](C2)CC3=C4C(=CC=C3)OCO4

InChI

InChI=1S/C21H31N3O3/c1-22-10-12-24(13-11-22)20(25)8-7-17-4-3-9-23(14-17)15-18-5-2-6-19-21(18)27-16-26-19/h2,5-6,17H,3-4,7-16H2,1H3/p+1/t17-/m1/s1