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

Systemtic Name: [4-[(4-ethylphenyl)methyl]piperazin-4-ium-1-yl]-(furan-2-yl)methanone Openeye Name: [4-[(4-ethylphenyl)methyl]piperazin-4-ium-1-yl]-(2-furyl)methanone CAS Name: [4-[(4-ethylphenyl)methyl]-1-piperazin-4-iumyl]-(2-furanyl)methanone IUPAC Name: [4-[(4-ethylphenyl)methyl]piperazin-4-ium-1-yl]-(furan-2-yl)methanone Traditional Name: [4-(4-ethylbenzyl)piperazin-4-ium-1-yl]-(2-furyl)methanone Formula: C18H23N2O2+ MolecularWeight: 299.38742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=CO3

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=CO3

InChI

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