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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CC1=CC=C(C=C1)C#N)CC(=O)N(CCC2=CC=CC=C2)CC3=CC=C(O3)C

Isomeric SMILES

CCC[NH+](CC1=CC=C(C=C1)C#N)CC(=O)N(CCC2=CC=CC=C2)CC3=CC=C(O3)C

InChI

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