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

Systemtic Name: 1-adamantyl-[3-azanyl-4-[(phenylmethyl)amino]thieno[2,3-b]pyridin-7-ium-2-yl]methanone Openeye Name: 1-adamantyl-[3-amino-4-(benzylamino)thieno[2,3-b]pyridin-7-ium-2-yl]methanone CAS Name: 1-adamantyl-[3-amino-4-[(phenylmethyl)amino]-2-thieno[2,3-b]pyridin-7-iumyl]methanone IUPAC Name: 1-adamantyl-[3-amino-4-(benzylamino)thieno[2,3-b]pyridin-7-ium-2-yl]methanone Traditional Name: 1-adamantyl-[3-amino-4-(benzylamino)thieno[2,3-b]pyridin-7-ium-2-yl]methanone Formula: C25H28N3OS+ MolecularWeight: 418.57432

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)C4=C(C5=C(C=C[NH+]=C5S4)NCC6=CC=CC=C6)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)C4=C(C5=C(C=C[NH+]=C5S4)NCC6=CC=CC=C6)N

InChI

InChI=1S/C25H27N3OS/c26-21-20-19(28-14-15-4-2-1-3-5-15)6-7-27-24(20)30-22(21)23(29)25-11-16-8-17(12-25)10-18(9-16)13-25/h1-7,16-18H,8-14,26H2,(H,27,28)/p+1