[3-(methoxymethyl)-1-benzofuran-2-yl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: [3-(methoxymethyl)-1-benzofuran-2-yl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: [4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-yl]-[3-(methoxymethyl)benzofuran-2-yl]methanone CAS Name: [3-(methoxymethyl)-2-benzofuranyl]-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: [3-(methoxymethyl)-1-benzofuran-2-yl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: [4-(4-isopropylbenzyl)piperazin-4-ium-1-yl]-[3-(methoxymethyl)benzofuran-2-yl]methanone Formula: C25H31N2O3+ MolecularWeight: 407.52524

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)C3=C(C4=CC=CC=C4O3)COC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=C(C4=CC=CC=C4O3)COC

InChI

InChI=1S/C25H30N2O3/c1-18(2)20-10-8-19(9-11-20)16-26-12-14-27(15-13-26)25(28)24-22(17-29-3)21-6-4-5-7-23(21)30-24/h4-11,18H,12-17H2,1-3H3/p+1