N-(furan-2-ylmethyl)-N'-[1-(phenylmethyl)piperidin-1-ium-4-yl]butanediamide

Systemtic Name: N-(furan-2-ylmethyl)-N'-[1-(phenylmethyl)piperidin-1-ium-4-yl]butanediamide Openeye Name: N'-(1-benzylpiperidin-1-ium-4-yl)-N-(2-furylmethyl)butanediamide CAS Name: N-(2-furanylmethyl)-N'-[1-(phenylmethyl)-4-piperidin-1-iumyl]butanediamide IUPAC Name: N'-(1-benzylpiperidin-1-ium-4-yl)-N-(furan-2-ylmethyl)butanediamide Traditional Name: N'-(1-benzylpiperidin-1-ium-4-yl)-N-(2-furfuryl)succinamide Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)CCC(=O)NCC2=CC=CO2)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1NC(=O)CCC(=O)NCC2=CC=CO2)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3/c25-20(22-15-19-7-4-14-27-19)8-9-21(26)23-18-10-12-24(13-11-18)16-17-5-2-1-3-6-17/h1-7,14,18H,8-13,15-16H2,(H,22,25)(H,23,26)/p+1