[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-yl-ethyl]azanium

Systemtic Name: [(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-yl-ethyl]azanium Openeye Name: [(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethyl]ammonium CAS Name: [(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl-[(2R)-2-(4-methyl-1-piperazin-4-iumyl)-2-thiophen-2-ylethyl]ammonium IUPAC Name: [(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-ylethyl]azanium Traditional Name: [(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methyl-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethyl]ammonium Formula: C23H35N3O2S+2 MolecularWeight: 417.6079

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)C[NH2+]CC(C3=CC=CS3)N4CC[NH+](CC4)C

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)C[NH2+]C[C@H](C3=CC=CS3)N4CC[NH+](CC4)C

InChI

InChI=1S/C23H33N3O2S/c1-4-27-21-13-18-12-17(2)28-22(18)14-19(21)15-24-16-20(23-6-5-11-29-23)26-9-7-25(3)8-10-26/h5-6,11,13-14,17,20,24H,4,7-10,12,15-16H2,1-3H3/p+2/t17-,20+/m0/s1