5-(3-nitrophenyl)-N-piperidin-1-ium-4-yl-thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: 5-(3-nitrophenyl)-N-piperidin-1-ium-4-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: 5-(3-nitrophenyl)-N-piperidin-1-ium-4-yl-thieno[2,3-d]pyrimidin-4-amine CAS Name: 5-(3-nitrophenyl)-N-(4-piperidin-1-iumyl)-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 5-(3-nitrophenyl)-N-piperidin-1-ium-4-ylthieno[2,3-d]pyrimidin-4-amine Traditional Name: [5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-yl]-piperidin-1-ium-4-yl-amine Formula: C17H18N5O2S+ MolecularWeight: 356.42212

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1NC2=C3C(=CSC3=NC=N2)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1C[NH2+]CCC1NC2=C3C(=CSC3=NC=N2)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O2S/c23-22(24)13-3-1-2-11(8-13)14-9-25-17-15(14)16(19-10-20-17)21-12-4-6-18-7-5-12/h1-3,8-10,12,18H,4-7H2,(H,19,20,21)/p+1