1-(azepan-1-yl)-2-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-(6-phenyl-4-thieno[2,3-d]pyrimidinyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanone Formula: C24H30N5OS+ MolecularWeight: 436.5929

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C3=C4C=C(SC4=NC=N3)C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C3=C4C=C(SC4=NC=N3)C5=CC=CC=C5

InChI

InChI=1S/C24H29N5OS/c30-22(28-10-6-1-2-7-11-28)17-27-12-14-29(15-13-27)23-20-16-21(19-8-4-3-5-9-19)31-24(20)26-18-25-23/h3-5,8-9,16,18H,1-2,6-7,10-15,17H2/p+1