2-azanyl-4-[4-[(2-chloranylphenoxy)methyl]-5-ethyl-thiophen-2-yl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile

Systemtic Name: 2-azanyl-4-[4-[(2-chloranylphenoxy)methyl]-5-ethyl-thiophen-2-yl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-[4-[(2-chlorophenoxy)methyl]-5-ethyl-2-thienyl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile CAS Name: 2-amino-4-[4-[(2-chlorophenoxy)methyl]-5-ethyl-2-thiophenyl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile IUPAC Name: 2-amino-4-[4-[(2-chlorophenoxy)methyl]-5-ethylthiophen-2-yl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-[4-[(2-chlorophenoxy)methyl]-5-ethyl-2-thienyl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Formula: C23H23ClN3OS+ MolecularWeight: 424.96622

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C2=C(C(=[NH+]C3=C2CCCC3)N)C#N)COC4=CC=CC=C4Cl

Isomeric SMILES

CCC1=C(C=C(S1)C2=C(C(=[NH+]C3=C2CCCC3)N)C#N)COC4=CC=CC=C4Cl

InChI

InChI=1S/C23H22ClN3OS/c1-2-20-14(13-28-19-10-6-4-8-17(19)24)11-21(29-20)22-15-7-3-5-9-18(15)27-23(26)16(22)12-25/h4,6,8,10-11H,2-3,5,7,9,13H2,1H3,(H2,26,27)/p+1