2-methyl-4-piperidin-1-yl-6-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride

Systemtic Name: 2-methyl-4-piperidin-1-yl-6-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride Openeye Name: 2-methyl-4-(1-piperidyl)-6-(2-thienyl)-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride CAS Name: 2-methyl-4-(1-piperidinyl)-6-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride IUPAC Name: 2-methyl-4-piperidin-1-yl-6-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride Traditional Name: 2-methyl-4-piperidino-6-(2-thienyl)-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride Formula: C16H19ClN4S MolecularWeight: 334.86686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)N3CCCCC3)[NH2+]C(=C2)C4=CC=CS4.[Cl-]

Isomeric SMILES

CC1=NC2=C(C(=N1)N3CCCCC3)[NH2+]C(=C2)C4=CC=CS4.[Cl-]

InChI

InChI=1S/C16H18N4S.ClH/c1-11-17-13-10-12(14-6-5-9-21-14)19-15(13)16(18-11)20-7-3-2-4-8-20;/h5-6,9-10,19H,2-4,7-8H2,1H3;1H