6-[(4-chlorophenyl)sulfonylmethyl]-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride

Systemtic Name: 6-[(4-chlorophenyl)sulfonylmethyl]-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride Openeye Name: 6-[(4-chlorophenyl)sulfonylmethyl]-2-methyl-4-(1-piperidyl)-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride CAS Name: 6-[(4-chlorophenyl)sulfonylmethyl]-2-methyl-4-(1-piperidinyl)-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride IUPAC Name: 6-[(4-chlorophenyl)sulfonylmethyl]-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride Traditional Name: 6-[(4-chlorophenyl)sulfonylmethyl]-2-methyl-4-piperidino-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride Formula: C19H22Cl2N4O2S MolecularWeight: 441.37458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN4O2S.ClH/c1-13-21-17-11-15(12-27(25,26)16-7-5-14(20)6-8-16)23-18(17)19(22-13)24-9-3-2-4-10-24;/h5-8,11,23H,2-4,9-10,12H2,1H3;1H