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

Systemtic Name: furan-3-ylmethyl-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-3-yl]methyl]azanium Openeye Name: 3-furylmethyl-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridyl]methyl]ammonium CAS Name: 3-furanylmethyl-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridinyl]methyl]ammonium IUPAC Name: furan-3-ylmethyl-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-3-yl]methyl]azanium Traditional Name: 3-furfuryl-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridyl]methyl]ammonium Formula: C17H26N4O+2 MolecularWeight: 302.41454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O/c1-20-7-3-8-21(10-9-20)17-16(4-2-6-19-17)13-18-12-15-5-11-22-14-15/h2,4-6,11,14,18H,3,7-10,12-13H2,1H3/p+2