(E)-3-(furan-2-yl)-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(furan-2-yl)-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(2-furyl)-1-[4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(2-furanyl)-1-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(furan-2-yl)-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(2-furyl)-1-[4-(4-isopropylbenzyl)piperazin-4-ium-1-yl]prop-2-en-1-one Formula: C21H27N2O2+ MolecularWeight: 339.45128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C=CC3=CC=CO3

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O2/c1-17(2)19-7-5-18(6-8-19)16-22-11-13-23(14-12-22)21(24)10-9-20-4-3-15-25-20/h3-10,15,17H,11-14,16H2,1-2H3/p+1/b10-9+