[4-[butyl-[3-(4-chloranylphenoxy)butan-2-yl]amino]-2-methyl-phenyl]iminoazanium

Systemtic Name: [4-[butyl-[3-(4-chloranylphenoxy)butan-2-yl]amino]-2-methyl-phenyl]iminoazanium Openeye Name: [4-[butyl-[2-(4-chlorophenoxy)-1-methyl-propyl]amino]-2-methyl-phenyl]iminoammonium CAS Name: [4-[butyl-[3-(4-chlorophenoxy)butan-2-yl]amino]-2-methylphenyl]iminoammonium IUPAC Name: [4-[butyl-[3-(4-chlorophenoxy)butan-2-yl]amino]-2-methylphenyl]iminoazanium Traditional Name: [4-[butyl-[2-(4-chlorophenoxy)-1-methyl-propyl]amino]-2-methyl-phenyl]iminoammonium Formula: C21H29ClN3O+ MolecularWeight: 374.92746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC(=C(C=C1)N=[NH2+])C)C(C)C(C)OC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCN(C1=CC(=C(C=C1)N=[NH2+])C)C(C)C(C)OC2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H28ClN3O/c1-5-6-13-25(19-9-12-21(24-23)15(2)14-19)16(3)17(4)26-20-10-7-18(22)8-11-20/h7-12,14,16-17,23H,5-6,13H2,1-4H3/p+1