N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methyl-1-piperazine-1,4-diiumyl)ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-piperonylamide Formula: C23H32N4O3+2 MolecularWeight: 412.52518

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)C(CNC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)N(C)C

Isomeric SMILES

C[NH+]1CC[NH+](CC1)[C@H](CNC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C23H30N4O3/c1-25(2)19-7-4-17(5-8-19)20(27-12-10-26(3)11-13-27)15-24-23(28)18-6-9-21-22(14-18)30-16-29-21/h4-9,14,20H,10-13,15-16H2,1-3H3,(H,24,28)/p+2/t20-/m1/s1