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

Systemtic Name: 3-(furan-2-yl)-N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]propanamide Openeye Name: 3-(2-furyl)-N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]propanamide CAS Name: 3-(2-furanyl)-N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridin-1-iumyl]methyl]propanamide IUPAC Name: 3-(furan-2-yl)-N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]propanamide Traditional Name: 3-(2-furyl)-N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]propionamide Formula: C19H28N4O2+2 MolecularWeight: 344.45122

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2=C(C=CC=[NH+]2)CNC(=O)CCC3=CC=CO3

Isomeric SMILES

C[NH+]1CCCN(CC1)C2=C(C=CC=[NH+]2)CNC(=O)CCC3=CC=CO3

InChI

InChI=1S/C19H26N4O2/c1-22-10-4-11-23(13-12-22)19-16(5-2-9-20-19)15-21-18(24)8-7-17-6-3-14-25-17/h2-3,5-6,9,14H,4,7-8,10-13,15H2,1H3,(H,21,24)/p+2