4-chloranyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-phenyl-thieno[2,3-d]pyrimidine

Systemtic Name: 4-chloranyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-phenyl-thieno[2,3-d]pyrimidine Openeye Name: 4-chloro-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-phenyl-thieno[2,3-d]pyrimidine CAS Name: 4-chloro-2-[(4-methyl-1-piperidin-1-iumyl)methyl]-5-phenylthieno[2,3-d]pyrimidine IUPAC Name: 4-chloro-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-phenylthieno[2,3-d]pyrimidine Traditional Name: 4-chloro-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-phenyl-thieno[2,3-d]pyrimidine Formula: C19H21ClN3S+ MolecularWeight: 358.90814

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=N2)Cl

Isomeric SMILES

CC1CC[NH+](CC1)CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=N2)Cl

InChI

InChI=1S/C19H20ClN3S/c1-13-7-9-23(10-8-13)11-16-21-18(20)17-15(12-24-19(17)22-16)14-5-3-2-4-6-14/h2-6,12-13H,7-11H2,1H3/p+1