N-[(2R)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]ethanamide

Systemtic Name: N-[(2R)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]ethanamide Openeye Name: N-[(1R)-1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-carbonyl]-2-methyl-propyl]acetamide CAS Name: N-[(2R)-1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-3-methyl-1-oxobutan-2-yl]acetamide IUPAC Name: N-[(2R)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide Traditional Name: N-[(1R)-1-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-carbonyl]-2-methyl-propyl]acetamide Formula: C20H30N3O3+ MolecularWeight: 360.4705

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCC3)NC(=O)C

Isomeric SMILES

CC(C)[C@H](C(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCC3)NC(=O)C

InChI

InChI=1S/C20H29N3O3/c1-14(2)19(21-15(3)24)20(25)23-9-7-22(8-10-23)13-16-4-5-18-17(12-16)6-11-26-18/h4-5,12,14,19H,6-11,13H2,1-3H3,(H,21,24)/p+1/t19-/m1/s1