N-(furan-2-ylmethyl)-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-(furan-2-ylmethyl)-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-(2-furylmethyl)-2-[4-(2-thienylmethyl)-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-(2-furanylmethyl)-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-(furan-2-ylmethyl)-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-(2-furfuryl)-2-[4-(2-thenyl)-1,4-diazepan-1-ium-1-yl]acetamide Formula: C17H24N3O2S+ MolecularWeight: 334.45636

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)CC2=CC=CS2)CC(=O)NCC3=CC=CO3

Isomeric SMILES

C1C[NH+](CCN(C1)CC2=CC=CS2)CC(=O)NCC3=CC=CO3

InChI

InChI=1S/C17H23N3O2S/c21-17(18-12-15-4-1-10-22-15)14-20-7-3-6-19(8-9-20)13-16-5-2-11-23-16/h1-2,4-5,10-11H,3,6-9,12-14H2,(H,18,21)/p+1