[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone

Systemtic Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone Openeye Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-[1-(2-thienylsulfonyl)-4-piperidyl]methanone CAS Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-(1-thiophen-2-ylsulfonyl-4-piperidinyl)methanone IUPAC Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone Traditional Name: [4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-[1-(2-thienylsulfonyl)-4-piperidyl]methanone Formula: C23H30N3O4S2+ MolecularWeight: 476.632

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCC1C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C23H29N3O4S2/c27-23(19-5-8-26(9-6-19)32(28,29)22-2-1-15-31-22)25-12-10-24(11-13-25)17-18-3-4-21-20(16-18)7-14-30-21/h1-4,15-16,19H,5-14,17H2/p+1