2-[2-(azocan-1-ium-1-yl)ethanoylamino]-N-(furan-2-ylmethyl)benzamide

Systemtic Name: 2-[2-(azocan-1-ium-1-yl)ethanoylamino]-N-(furan-2-ylmethyl)benzamide Openeye Name: 2-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-(2-furylmethyl)benzamide CAS Name: 2-[[2-(1-azocan-1-iumyl)-1-oxoethyl]amino]-N-(2-furanylmethyl)benzamide IUPAC Name: 2-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-(furan-2-ylmethyl)benzamide Traditional Name: 2-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-(2-furfuryl)benzamide Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CO3

Isomeric SMILES

C1CCC[NH+](CCC1)CC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CO3

InChI

InChI=1S/C21H27N3O3/c25-20(16-24-12-6-2-1-3-7-13-24)23-19-11-5-4-10-18(19)21(26)22-15-17-9-8-14-27-17/h4-5,8-11,14H,1-3,6-7,12-13,15-16H2,(H,22,26)(H,23,25)/p+1