(2R)-N-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(4-methyl-1-piperazine-1,4-diiumyl)propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide Traditional Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)propionamide Formula: C15H23N3O3+2 MolecularWeight: 293.36142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)[NH+]3CC[NH+](CC3)C

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)[NH+]3CC[NH+](CC3)C

InChI

InChI=1S/C15H21N3O3/c1-11(18-7-5-17(2)6-8-18)15(19)16-12-3-4-13-14(9-12)21-10-20-13/h3-4,9,11H,5-8,10H2,1-2H3,(H,16,19)/p+2/t11-/m1/s1