[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-cyclopropyl-[(4-methoxyphenyl)methyl]azanium

Systemtic Name: [2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-cyclopropyl-[(4-methoxyphenyl)methyl]azanium Openeye Name: [2-[2-cyanoethyl(2-furylmethyl)amino]-2-oxo-ethyl]-cyclopropyl-[(4-methoxyphenyl)methyl]ammonium CAS Name: [2-[2-cyanoethyl(2-furanylmethyl)amino]-2-oxoethyl]-cyclopropyl-[(4-methoxyphenyl)methyl]ammonium IUPAC Name: [2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-cyclopropyl-[(4-methoxyphenyl)methyl]azanium Traditional Name: [2-[2-cyanoethyl(2-furfuryl)amino]-2-keto-ethyl]-cyclopropyl-p-anisyl-ammonium Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+](CC(=O)N(CCC#N)CC2=CC=CO2)C3CC3

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+](CC(=O)N(CCC#N)CC2=CC=CO2)C3CC3

InChI

InChI=1S/C21H25N3O3/c1-26-19-9-5-17(6-10-19)14-24(18-7-8-18)16-21(25)23(12-3-11-22)15-20-4-2-13-27-20/h2,4-6,9-10,13,18H,3,7-8,12,14-16H2,1H3/p+1