N'-(3,4-dimethylphenyl)-N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]ethanediamide

Systemtic Name: N'-(3,4-dimethylphenyl)-N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]ethanediamide Openeye Name: N'-(3,4-dimethylphenyl)-N-[[1-(2-furylmethyl)piperidin-1-ium-4-yl]methyl]oxamide CAS Name: N'-(3,4-dimethylphenyl)-N-[[1-(2-furanylmethyl)-4-piperidin-1-iumyl]methyl]oxamide IUPAC Name: N'-(3,4-dimethylphenyl)-N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]oxamide Traditional Name: N'-(3,4-dimethylphenyl)-N-[[1-(2-furfuryl)piperidin-1-ium-4-yl]methyl]oxamide Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(=O)NCC2CC[NH+](CC2)CC3=CC=CO3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(=O)NCC2CC[NH+](CC2)CC3=CC=CO3)C

InChI

InChI=1S/C21H27N3O3/c1-15-5-6-18(12-16(15)2)23-21(26)20(25)22-13-17-7-9-24(10-8-17)14-19-4-3-11-27-19/h3-6,11-12,17H,7-10,13-14H2,1-2H3,(H,22,25)(H,23,26)/p+1