N-cyclopropyl-2-[4-[(E)-3-[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]prop-2-enoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-[(E)-3-[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]prop-2-enoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[(E)-3-[(2S)-5-methoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]prop-2-enoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[(E)-3-[(2S)-5-methoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-1-oxoprop-2-enyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[(E)-3-[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]prop-2-enoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-[(E)-3-[(2S)-5-methoxy-2-methyl-coumaran-6-yl]acryloyl]piperazin-1-ium-1-yl]acetamide Formula: C22H30N3O4+ MolecularWeight: 400.4913

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(O1)C=C(C(=C2)OC)C=CC(=O)N3CC[NH+](CC3)CC(=O)NC4CC4

Isomeric SMILES

C[C@H]1CC2=C(O1)C=C(C(=C2)OC)/C=C/C(=O)N3CC[NH+](CC3)CC(=O)NC4CC4

InChI

InChI=1S/C22H29N3O4/c1-15-11-17-13-19(28-2)16(12-20(17)29-15)3-6-22(27)25-9-7-24(8-10-25)14-21(26)23-18-4-5-18/h3,6,12-13,15,18H,4-5,7-11,14H2,1-2H3,(H,23,26)/p+1/b6-3+/t15-/m0/s1