N-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-yl-ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-yl-ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-2-(3-pyridyl)ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(2S)-2-(4-phenyl-1-piperazin-1-iumyl)-2-(3-pyridinyl)ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-2-(3-pyridyl)ethyl]-piperonylamide Formula: C25H27N4O3+ MolecularWeight: 431.50688

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(CNC(=O)C2=CC3=C(C=C2)OCO3)C4=CN=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1[C@H](CNC(=O)C2=CC3=C(C=C2)OCO3)C4=CN=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H26N4O3/c30-25(19-8-9-23-24(15-19)32-18-31-23)27-17-22(20-5-4-10-26-16-20)29-13-11-28(12-14-29)21-6-2-1-3-7-21/h1-10,15-16,22H,11-14,17-18H2,(H,27,30)/p+1/t22-/m1/s1