2,3-dihydro-1-benzofuran-5-ylmethyl-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-3-yl]methyl]azanium

Systemtic Name: 2,3-dihydro-1-benzofuran-5-ylmethyl-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-3-yl]methyl]azanium Openeye Name: 2,3-dihydrobenzofuran-5-ylmethyl-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridyl]methyl]ammonium CAS Name: 2,3-dihydrobenzofuran-5-ylmethyl-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridinyl]methyl]ammonium IUPAC Name: 2,3-dihydro-1-benzofuran-5-ylmethyl-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-3-yl]methyl]azanium Traditional Name: coumaran-5-ylmethyl-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridyl]methyl]ammonium Formula: C21H30N4O+2 MolecularWeight: 354.4891

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2=C(C=CC=N2)C[NH2+]CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

C[NH+]1CCCN(CC1)C2=C(C=CC=N2)C[NH2+]CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C21H28N4O/c1-24-9-3-10-25(12-11-24)21-19(4-2-8-23-21)16-22-15-17-5-6-20-18(14-17)7-13-26-20/h2,4-6,8,14,22H,3,7,9-13,15-16H2,1H3/p+2