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

Systemtic Name: N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-pyridin-3-yl-ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(2S)-2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-2-(3-pyridinyl)ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-pyridin-3-ylethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]-piperonylamide Formula: C26H29N4O4+ MolecularWeight: 461.53286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)C(CNC(=O)C3=CC4=C(C=C3)OCO4)C5=CN=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)[C@H](CNC(=O)C3=CC4=C(C=C3)OCO4)C5=CN=CC=C5

InChI

InChI=1S/C26H28N4O4/c1-32-22-7-5-21(6-8-22)29-11-13-30(14-12-29)23(20-3-2-10-27-16-20)17-28-26(31)19-4-9-24-25(15-19)34-18-33-24/h2-10,15-16,23H,11-14,17-18H2,1H3,(H,28,31)/p+1/t23-/m1/s1