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

Systemtic Name: (3,4-dimethylphenyl)-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (3,4-dimethylphenyl)-[4-(2-furylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (3,4-dimethylphenyl)-[4-(2-furanylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (3,4-dimethylphenyl)-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (3,4-dimethylphenyl)-[4-(2-furfuryl)piperazin-4-ium-1-yl]methanone Formula: C18H23N2O2+ MolecularWeight: 299.38742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CO3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CO3)C

InChI

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