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

Systemtic Name: (4-cyanophenyl)methyl-[2-[(5-methylfuran-2-yl)methyl-phenethyl-amino]-2-oxidanylidene-ethyl]-propan-2-yl-azanium Openeye Name: (4-cyanophenyl)methyl-isopropyl-[2-[(5-methyl-2-furyl)methyl-phenethyl-amino]-2-oxo-ethyl]ammonium CAS Name: (4-cyanophenyl)methyl-[2-[(5-methyl-2-furanyl)methyl-phenethylamino]-2-oxoethyl]-propan-2-ylammonium IUPAC Name: (4-cyanophenyl)methyl-[2-[(5-methylfuran-2-yl)methyl-phenethylamino]-2-oxoethyl]-propan-2-ylazanium Traditional Name: (4-cyanobenzyl)-isopropyl-[2-keto-2-[(5-methyl-2-furyl)methyl-phenethyl-amino]ethyl]ammonium Formula: C27H32N3O2+ MolecularWeight: 430.56188

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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=C(C=C3)C#N)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O2/c1-21(2)30(18-25-12-10-24(17-28)11-13-25)20-27(31)29(19-26-14-9-22(3)32-26)16-15-23-7-5-4-6-8-23/h4-14,21H,15-16,18-20H2,1-3H3/p+1