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

Systemtic Name: N-methyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-5-ium-2-amine chloride Openeye Name: N-methyl-6-phenyl-4-(1-piperidyl)-5H-pyrrolo[3,2-d]pyrimidin-5-ium-2-amine chloride CAS Name: N-methyl-6-phenyl-4-(1-piperidinyl)-5H-pyrrolo[3,2-d]pyrimidin-5-ium-2-amine chloride IUPAC Name: N-methyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-5-ium-2-amine chloride Traditional Name: methyl-(6-phenyl-4-piperidino-5H-pyrrolo[3,2-d]pyrimidin-5-ium-2-yl)amine chloride Formula: C18H22ClN5 MolecularWeight: 343.85378

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC2=C(C(=N1)N3CCCCC3)[NH2+]C(=C2)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CNC1=NC2=C(C(=N1)N3CCCCC3)[NH2+]C(=C2)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C18H21N5.ClH/c1-19-18-21-15-12-14(13-8-4-2-5-9-13)20-16(15)17(22-18)23-10-6-3-7-11-23;/h2,4-5,8-9,12,20H,3,6-7,10-11H2,1H3,(H,19,21,22);1H