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

Systemtic Name: (4-cyanophenyl)methyl-cyclopropyl-[2-[(5-methylfuran-2-yl)methyl-phenethyl-amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (4-cyanophenyl)methyl-cyclopropyl-[2-[(5-methyl-2-furyl)methyl-phenethyl-amino]-2-oxo-ethyl]ammonium CAS Name: (4-cyanophenyl)methyl-cyclopropyl-[2-[(5-methyl-2-furanyl)methyl-phenethylamino]-2-oxoethyl]ammonium IUPAC Name: (4-cyanophenyl)methyl-cyclopropyl-[2-[(5-methylfuran-2-yl)methyl-phenethylamino]-2-oxoethyl]azanium Traditional Name: (4-cyanobenzyl)-cyclopropyl-[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+](CC3=CC=C(C=C3)C#N)C4CC4

Isomeric SMILES

CC1=CC=C(O1)CN(CCC2=CC=CC=C2)C(=O)C[NH+](CC3=CC=C(C=C3)C#N)C4CC4

InChI

InChI=1S/C27H29N3O2/c1-21-7-14-26(32-21)19-29(16-15-22-5-3-2-4-6-22)27(31)20-30(25-12-13-25)18-24-10-8-23(17-28)9-11-24/h2-11,14,25H,12-13,15-16,18-20H2,1H3/p+1