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

Systemtic Name: 4-(4-methylpiperidin-1-yl)-5-phenyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine Openeye Name: 4-(4-methyl-1-piperidyl)-5-phenyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine CAS Name: 4-(4-methyl-1-piperidinyl)-5-phenyl-2-(1-piperidin-1-iumylmethyl)thieno[2,3-d]pyrimidine IUPAC Name: 4-(4-methylpiperidin-1-yl)-5-phenyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine Traditional Name: 4-(4-methylpiperidino)-5-phenyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine Formula: C24H31N4S+ MolecularWeight: 407.59474

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C3C(=CSC3=NC(=N2)C[NH+]4CCCCC4)C5=CC=CC=C5

Isomeric SMILES

CC1CCN(CC1)C2=C3C(=CSC3=NC(=N2)C[NH+]4CCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C24H30N4S/c1-18-10-14-28(15-11-18)23-22-20(19-8-4-2-5-9-19)17-29-24(22)26-21(25-23)16-27-12-6-3-7-13-27/h2,4-5,8-9,17-18H,3,6-7,10-16H2,1H3/p+1