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

Systemtic Name: (4-cyanophenyl)methyl-[2-[(5-methylfuran-2-yl)methyl-phenethyl-amino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium Openeye Name: allyl-[(4-cyanophenyl)methyl]-[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]-prop-2-enylammonium IUPAC Name: (4-cyanophenyl)methyl-[2-[(5-methylfuran-2-yl)methyl-phenethylamino]-2-oxoethyl]-prop-2-enylazanium Traditional Name: allyl-(4-cyanobenzyl)-[2-keto-2-[(5-methyl-2-furyl)methyl-phenethyl-amino]ethyl]ammonium Formula: C27H30N3O2+ MolecularWeight: 428.546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O2/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/h3-14H,1,15-17,19-21H2,2H3/p+1