[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-(3,4,5-triethoxyphenyl)methanone

Systemtic Name: [4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-(3,4,5-triethoxyphenyl)methanone Openeye Name: [4-(2-furylmethyl)piperazin-4-ium-1-yl]-(3,4,5-triethoxyphenyl)methanone CAS Name: [4-(2-furanylmethyl)-1-piperazin-4-iumyl]-(3,4,5-triethoxyphenyl)methanone IUPAC Name: [4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-(3,4,5-triethoxyphenyl)methanone Traditional Name: [4-(2-furfuryl)piperazin-4-ium-1-yl]-(3,4,5-triethoxyphenyl)methanone Formula: C22H31N2O5+ MolecularWeight: 403.49194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CC[NH+](CC2)CC3=CC=CO3

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CC[NH+](CC2)CC3=CC=CO3

InChI

InChI=1S/C22H30N2O5/c1-4-26-19-14-17(15-20(27-5-2)21(19)28-6-3)22(25)24-11-9-23(10-12-24)16-18-8-7-13-29-18/h7-8,13-15H,4-6,9-12,16H2,1-3H3/p+1