(4-ethylphenyl)-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-ethylphenyl)-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-ethylphenyl)-[4-(2-furylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (4-ethylphenyl)-[4-(2-furanylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-ethylphenyl)-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (4-ethylphenyl)-[4-(2-furfuryl)piperazin-4-ium-1-yl]methanone Formula: C18H23N2O2+ MolecularWeight: 299.38742

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CO3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CO3

InChI

InChI=1S/C18H22N2O2/c1-2-15-5-7-16(8-6-15)18(21)20-11-9-19(10-12-20)14-17-4-3-13-22-17/h3-8,13H,2,9-12,14H2,1H3/p+1