N-[(1R,2R)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1-thiophen-2-yl-propan-2-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(1R,2R)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1-thiophen-2-yl-propan-2-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(1R,2R)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1-methyl-2-(2-thienyl)ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(1R,2R)-1-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-thiophen-2-ylpropan-2-yl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(1R,2R)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1-thiophen-2-ylpropan-2-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(1R,2R)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1-methyl-2-(2-thienyl)ethyl]-piperonylamide Formula: C26H30N3O4S+ MolecularWeight: 480.5991

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CS1)[NH+]2CCN(CC2)C3=CC=CC=C3OC)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C[C@H]([C@H](C1=CC=CS1)[NH+]2CCN(CC2)C3=CC=CC=C3OC)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H29N3O4S/c1-18(27-26(30)19-9-10-22-23(16-19)33-17-32-22)25(24-8-5-15-34-24)29-13-11-28(12-14-29)20-6-3-4-7-21(20)31-2/h3-10,15-16,18,25H,11-14,17H2,1-2H3,(H,27,30)/p+1/t18-,25-/m1/s1