N-(1-methylsulfonylpiperazin-1-ium-1-yl)-5,6,7,8-tetrahydroquinazolin-2-amine

Systemtic Name: N-(1-methylsulfonylpiperazin-1-ium-1-yl)-5,6,7,8-tetrahydroquinazolin-2-amine Openeye Name: N-(1-methylsulfonylpiperazin-1-ium-1-yl)-5,6,7,8-tetrahydroquinazolin-2-amine CAS Name: N-(1-methylsulfonyl-1-piperazin-1-iumyl)-5,6,7,8-tetrahydroquinazolin-2-amine IUPAC Name: N-(1-methylsulfonylpiperazin-1-ium-1-yl)-5,6,7,8-tetrahydroquinazolin-2-amine Traditional Name: (1-mesylpiperazin-1-ium-1-yl)-(5,6,7,8-tetrahydroquinazolin-2-yl)amine Formula: C13H22N5O2S+ MolecularWeight: 312.41108

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[N+]1(CCNCC1)NC2=NC=C3CCCCC3=N2

Isomeric SMILES

CS(=O)(=O)[N+]1(CCNCC1)NC2=NC=C3CCCCC3=N2

InChI

InChI=1S/C13H22N5O2S/c1-21(19,20)18(8-6-14-7-9-18)17-13-15-10-11-4-2-3-5-12(11)16-13/h10,14H,2-9H2,1H3,(H,15,16,17)/q+1