[2-[(5-methylfuran-2-yl)methyl-phenethyl-amino]-2-oxidanylidene-ethyl]-(phenylmethyl)-propan-2-yl-azanium

Systemtic Name: [2-[(5-methylfuran-2-yl)methyl-phenethyl-amino]-2-oxidanylidene-ethyl]-(phenylmethyl)-propan-2-yl-azanium Openeye Name: benzyl-isopropyl-[2-[(5-methyl-2-furyl)methyl-phenethyl-amino]-2-oxo-ethyl]ammonium CAS Name: [2-[(5-methyl-2-furanyl)methyl-phenethylamino]-2-oxoethyl]-(phenylmethyl)-propan-2-ylammonium IUPAC Name: benzyl-[2-[(5-methylfuran-2-yl)methyl-phenethylamino]-2-oxoethyl]-propan-2-ylazanium Traditional Name: benzyl-isopropyl-[2-keto-2-[(5-methyl-2-furyl)methyl-phenethyl-amino]ethyl]ammonium Formula: C26H33N2O2+ MolecularWeight: 405.55242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CN(CCC2=CC=CC=C2)C(=O)C[NH+](CC3=CC=CC=C3)C(C)C

Isomeric SMILES

CC1=CC=C(O1)CN(CCC2=CC=CC=C2)C(=O)C[NH+](CC3=CC=CC=C3)C(C)C

InChI

InChI=1S/C26H32N2O2/c1-21(2)28(18-24-12-8-5-9-13-24)20-26(29)27(19-25-15-14-22(3)30-25)17-16-23-10-6-4-7-11-23/h4-15,21H,16-20H2,1-3H3/p+1