[3-azanyl-4-(4-methoxyphenyl)-6-phenyl-thieno[2,3-b]pyridin-2-yl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [3-azanyl-4-(4-methoxyphenyl)-6-phenyl-thieno[2,3-b]pyridin-2-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [3-amino-4-(4-methoxyphenyl)-6-phenyl-thieno[2,3-b]pyridin-2-yl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [3-amino-4-(4-methoxyphenyl)-6-phenyl-2-thieno[2,3-b]pyridinyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [3-amino-4-(4-methoxyphenyl)-6-phenyl-thieno[2,3-b]pyridin-2-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C26H27N4O2S+ MolecularWeight: 459.58318

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=C(C3=C(S2)N=C(C=C3C4=CC=C(C=C4)OC)C5=CC=CC=C5)N

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=C(C3=C(S2)N=C(C=C3C4=CC=C(C=C4)OC)C5=CC=CC=C5)N

InChI

InChI=1S/C26H26N4O2S/c1-29-12-14-30(15-13-29)26(31)24-23(27)22-20(17-8-10-19(32-2)11-9-17)16-21(28-25(22)33-24)18-6-4-3-5-7-18/h3-11,16H,12-15,27H2,1-2H3/p+1