cyclohexyl-methyl-[[2-[2-(6-methyl-1-benzofuran-3-yl)ethanoylamino]phenyl]methyl]azanium

Systemtic Name: cyclohexyl-methyl-[[2-[2-(6-methyl-1-benzofuran-3-yl)ethanoylamino]phenyl]methyl]azanium Openeye Name: cyclohexyl-methyl-[[2-[[2-(6-methylbenzofuran-3-yl)acetyl]amino]phenyl]methyl]ammonium CAS Name: cyclohexyl-methyl-[[2-[[2-(6-methyl-3-benzofuranyl)-1-oxoethyl]amino]phenyl]methyl]ammonium IUPAC Name: cyclohexyl-methyl-[[2-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]phenyl]methyl]azanium Traditional Name: cyclohexyl-methyl-[2-[[2-(6-methylbenzofuran-3-yl)acetyl]amino]benzyl]ammonium Formula: C25H31N2O2+ MolecularWeight: 391.52584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CO2)CC(=O)NC3=CC=CC=C3C[NH+](C)C4CCCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CO2)CC(=O)NC3=CC=CC=C3C[NH+](C)C4CCCCC4

InChI

InChI=1S/C25H30N2O2/c1-18-12-13-22-20(17-29-24(22)14-18)15-25(28)26-23-11-7-6-8-19(23)16-27(2)21-9-4-3-5-10-21/h6-8,11-14,17,21H,3-5,9-10,15-16H2,1-2H3,(H,26,28)/p+1