[4-[1-(4-chloranylphenoxy)propan-2-yl-(2-cyanoethyl)amino]-2-propyl-phenyl]iminoazanium

Systemtic Name: [4-[1-(4-chloranylphenoxy)propan-2-yl-(2-cyanoethyl)amino]-2-propyl-phenyl]iminoazanium Openeye Name: [4-[[2-(4-chlorophenoxy)-1-methyl-ethyl]-(2-cyanoethyl)amino]-2-propyl-phenyl]iminoammonium CAS Name: [4-[1-(4-chlorophenoxy)propan-2-yl-(2-cyanoethyl)amino]-2-propylphenyl]iminoammonium IUPAC Name: [4-[1-(4-chlorophenoxy)propan-2-yl-(2-cyanoethyl)amino]-2-propylphenyl]iminoazanium Traditional Name: [4-[[2-(4-chlorophenoxy)-1-methyl-ethyl]-(2-cyanoethyl)amino]-2-propyl-phenyl]iminoammonium Formula: C21H26ClN4O+ MolecularWeight: 385.91034

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)N(CCC#N)C(C)COC2=CC=C(C=C2)Cl)N=[NH2+]

Isomeric SMILES

CCCC1=C(C=CC(=C1)N(CCC#N)C(C)COC2=CC=C(C=C2)Cl)N=[NH2+]

InChI

InChI=1S/C21H25ClN4O/c1-3-5-17-14-19(8-11-21(17)25-24)26(13-4-12-23)16(2)15-27-20-9-6-18(22)7-10-20/h6-11,14,16,24H,3-5,13,15H2,1-2H3/p+1