[4-(1-adamantyl)-6-azanyl-2-phenyl-thieno[2,3-b]pyridin-7-ium-3-yl]-phenyl-methanone

Systemtic Name: [4-(1-adamantyl)-6-azanyl-2-phenyl-thieno[2,3-b]pyridin-7-ium-3-yl]-phenyl-methanone Openeye Name: [4-(1-adamantyl)-6-amino-2-phenyl-thieno[2,3-b]pyridin-7-ium-3-yl]-phenyl-methanone CAS Name: [4-(1-adamantyl)-6-amino-2-phenyl-3-thieno[2,3-b]pyridin-7-iumyl]-phenylmethanone IUPAC Name: [4-(1-adamantyl)-6-amino-2-phenylthieno[2,3-b]pyridin-7-ium-3-yl]-phenylmethanone Traditional Name: [4-(1-adamantyl)-6-amino-2-phenyl-thieno[2,3-b]pyridin-7-ium-3-yl]-phenyl-methanone Formula: C30H29N2OS+ MolecularWeight: 465.62906

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC(=[NH+]C5=C4C(=C(S5)C6=CC=CC=C6)C(=O)C7=CC=CC=C7)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC(=[NH+]C5=C4C(=C(S5)C6=CC=CC=C6)C(=O)C7=CC=CC=C7)N

InChI

InChI=1S/C30H28N2OS/c31-24-14-23(30-15-18-11-19(16-30)13-20(12-18)17-30)25-26(27(33)21-7-3-1-4-8-21)28(34-29(25)32-24)22-9-5-2-6-10-22/h1-10,14,18-20H,11-13,15-17H2,(H2,31,32)/p+1