(2R)-N-cyclopropyl-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]propanamide

Systemtic Name: (2R)-N-cyclopropyl-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]propanamide Openeye Name: (2R)-N-cyclopropyl-2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]propanamide CAS Name: (2R)-N-cyclopropyl-2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazine-1,4-diiumyl]propanamide IUPAC Name: (2R)-N-cyclopropyl-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]propanamide Traditional Name: (2R)-2-[4-(coumaran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-cyclopropyl-propionamide Formula: C19H29N3O2+2 MolecularWeight: 331.45246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

C[C@H](C(=O)NC1CC1)[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C19H27N3O2/c1-14(19(23)20-17-3-4-17)22-9-7-21(8-10-22)13-15-2-5-18-16(12-15)6-11-24-18/h2,5,12,14,17H,3-4,6-11,13H2,1H3,(H,20,23)/p+2/t14-/m1/s1