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

Systemtic Name: (2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-cyclopentyl-propanamide Openeye Name: (2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-cyclopentyl-propanamide CAS Name: (2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-cyclopentylpropanamide IUPAC Name: (2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-cyclopentylpropanamide Traditional Name: (2R)-N-cyclopentyl-2-(4-piperonylpiperazine-1,4-diium-1-yl)propionamide Formula: C20H31N3O3+2 MolecularWeight: 361.47844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC1)[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[C@H](C(=O)NC1CCCC1)[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H29N3O3/c1-15(20(24)21-17-4-2-3-5-17)23-10-8-22(9-11-23)13-16-6-7-18-19(12-16)26-14-25-18/h6-7,12,15,17H,2-5,8-11,13-14H2,1H3,(H,21,24)/p+2/t15-/m1/s1