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

Systemtic Name: N-(cyclohexen-1-yl)-N-cyclopropyl-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(cyclohexen-1-yl)-N-cyclopropyl-2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(1-cyclohexenyl)-N-cyclopropyl-2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(cyclohexen-1-yl)-N-cyclopropyl-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: 2-[4-(coumaran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(cyclohexen-1-yl)-N-cyclopropyl-acetamide Formula: C24H35N3O2+2 MolecularWeight: 397.5536

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)N(C2CC2)C(=O)C[NH+]3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

C1CCC(=CC1)N(C2CC2)C(=O)C[NH+]3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C24H33N3O2/c28-24(27(22-7-8-22)21-4-2-1-3-5-21)18-26-13-11-25(12-14-26)17-19-6-9-23-20(16-19)10-15-29-23/h4,6,9,16,22H,1-3,5,7-8,10-15,17-18H2/p+2