[2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl-(2,3-dihydro-1-benzofuran-5-ylmethyl)azanium

Systemtic Name: [2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl-(2,3-dihydro-1-benzofuran-5-ylmethyl)azanium Openeye Name: [2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl-(2,3-dihydrobenzofuran-5-ylmethyl)ammonium CAS Name: [2-[cyclohexyl(methyl)amino]-3-pyridin-1-iumyl]methyl-(2,3-dihydrobenzofuran-5-ylmethyl)ammonium IUPAC Name: [2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl-(2,3-dihydro-1-benzofuran-5-ylmethyl)azanium Traditional Name: coumaran-5-ylmethyl-[[2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl]ammonium Formula: C22H31N3O+2 MolecularWeight: 353.50104

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C2=C(C=CC=[NH+]2)C[NH2+]CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CN(C1CCCCC1)C2=C(C=CC=[NH+]2)C[NH2+]CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C22H29N3O/c1-25(20-7-3-2-4-8-20)22-19(6-5-12-24-22)16-23-15-17-9-10-21-18(14-17)11-13-26-21/h5-6,9-10,12,14,20,23H,2-4,7-8,11,13,15-16H2,1H3/p+2