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

Systemtic Name: 2-azanyl-4-[4-[(4-chloranylphenoxy)methyl]-5-methyl-thiophen-2-yl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-[4-[(4-chlorophenoxy)methyl]-5-methyl-2-thienyl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile CAS Name: 2-amino-4-[4-[(4-chlorophenoxy)methyl]-5-methyl-2-thiophenyl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile IUPAC Name: 2-amino-4-[4-[(4-chlorophenoxy)methyl]-5-methylthiophen-2-yl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-[4-[(4-chlorophenoxy)methyl]-5-methyl-2-thienyl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Formula: C22H21ClN3OS+ MolecularWeight: 410.93964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(S1)C2=C(C(=[NH+]C3=C2CCCC3)N)C#N)COC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C=C(S1)C2=C(C(=[NH+]C3=C2CCCC3)N)C#N)COC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H20ClN3OS/c1-13-14(12-27-16-8-6-15(23)7-9-16)10-20(28-13)21-17-4-2-3-5-19(17)26-22(25)18(21)11-24/h6-10H,2-5,12H2,1H3,(H2,25,26)/p+1