(2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-cyclohexyl-N-methyl-propanamide

Systemtic Name: (2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-cyclohexyl-N-methyl-propanamide Openeye Name: (2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-cyclohexyl-N-methyl-propanamide CAS Name: (2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-cyclohexyl-N-methylpropanamide IUPAC Name: (2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-cyclohexyl-N-methylpropanamide Traditional Name: (2R)-N-cyclohexyl-N-methyl-2-(4-piperonylpiperazine-1,4-diium-1-yl)propionamide Formula: C22H35N3O3+2 MolecularWeight: 389.5316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1CCCCC1)[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[C@H](C(=O)N(C)C1CCCCC1)[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H33N3O3/c1-17(22(26)23(2)19-6-4-3-5-7-19)25-12-10-24(11-13-25)15-18-8-9-20-21(14-18)28-16-27-20/h8-9,14,17,19H,3-7,10-13,15-16H2,1-2H3/p+2/t17-/m1/s1